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2606.10397 2026-06-10 cond-mat.str-el cond-mat.mtrl-sci 新提交

Improved selector behavior in ultrathin chromium-doped V$_2$O$_3$ films

超薄掺铬V$_2$O$_3$薄膜中改进的选择器行为

Johannes Mohr, Tyler Hennen, Yudi Wang, Xiaoyu Xu, Loc Vinh, Dirk J. Wouters, Rainer Waser, Joyeeta Nag, Daniel Bedau

AI总结 研究超薄掺铬V$_2$O$_3$薄膜的负微分电阻效应,发现5nm薄膜仍保持开关效应且性能提升,归因于界面非晶层和元素扩散。

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AI中文摘要

基于掺铬V$_2$O$_3$中负微分电阻效应的器件被认为有望用作新兴存储技术中的选择器元件,以及神经形态应用。电学测量表明,开关效应在低至5 nm的超薄薄膜中得以保持,甚至观察到改进的性能,如低漏电流和陡峭的转变。对于这些厚度,晶体和非晶薄膜的行为变得非常相似;最引人注目的是,两者都需要一个形成步骤。透射电子显微镜显示,这很可能是由于在TiN电极界面处形成了一层薄的非晶层。元素映射进一步揭示了铬掺杂剂的复杂分布,以及Ti从电极扩散到薄膜中,这可能是性能改进的原因。

英文摘要

Devices based on the negative differential resistance effect in chromium doped V$_2$O$_3$ are considered to be promising as selector elements for use in emerging memory technologies, as well as for neuromorphic applications. It is shown by electrical measurements, that the switching effect is maintained for very thin films down to 5 nm, and even improved properties such as a low leakage current and an abrupt transition are observed. For these thicknesses, the behavior of crystalline and amorphous films becomes very similar; most strikingly, a forming step is required in both. Transmission electron microscopy reveals this to be likely due to a thin amorphous layer that forms at the interface to the TiN electrode. Elemental mapping further shows a complex distribution of the chromium dopants, as well as a diffusion of Ti into the layer from the electrode, which might be responsible for the improved properties.

2606.10300 2026-06-10 cond-mat.supr-con cond-mat.mtrl-sci cond-mat.str-el 新提交

Vortex pinning of Ba$_{0.62}$K$_{0.38}$BiO$_3$ investigated by magneto-optical Kerr-effect and magnetization measurements

通过磁光克尔效应和磁化测量研究Ba$_{0.62}$K$_{0.38}$BiO$_3$的涡旋钉扎

Soichiro Yamane, Sota Nakamura, Atsutoshi Ikeda, Dayu Zhai, Siddarth Gorregattu, Xing He, Sudarshan Sharma, Yipeng Cai, Yasutomo J. Uemura, Martin Greven, Shingo Yonezawa

AI总结 利用高分辨率磁光克尔效应和磁化测量研究三维氧化物超导体Ba$_{0.62}$K$_{0.38}$BiO$_3$的涡旋钉扎,发现零场磁光克尔信号表现出显著的磁历史依赖性,与Bean临界态模型吻合,并建立了区分涡旋诱导和时间反演对称破缺引起的磁光克尔响应的协议。

Comments 10 pages, 5 figures

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AI中文摘要

涡旋钉扎在决定第二类超导体的性质中起着关键作用。例如,它控制着不可逆磁响应以及由涡旋运动引起的耗散。在这里,我们利用超高分辨率磁光克尔效应(MOKE)和详细的磁化测量,研究了三维氧化物超导体Ba$_{1-x}$K$_x$BiO$_3$中的涡旋钉扎。我们发现,超导态中的零场MOKE信号表现出显著的磁历史依赖性。这种行为与由捕获涡旋引起的剩磁非常相似。此外,我们证明了观察到的MOKE信号的演化很好地由Bean的捕获涡旋临界态模型描述。我们的结果确立了MOKE作为第二类超导体中涡旋钉扎的一种可行的光学和介观探针,为研究混合态现象提供了一种新的补充方法。我们还发现,在零训练场附近,MOKE的训练场依赖性呈线性,没有任何异常表明非常规超导态中存在自发的时间反演对称性破缺。我们的研究定义了一个清晰的协议,以区分涡旋诱导的MOKE响应与那些与时间反演对称性破缺的超导序参量相关的响应。

英文摘要

Vortex pinning plays a crucial role in determining properties of type-II superconductors. For example, it governs the irreversible magnetic response as well as dissipation caused by vortex motion. Here, we study vortex pinning in the three-dimensional oxide superconductor Ba1-xKxBiO3 using ultra-high-resolution magneto-optical Kerr effect (MOKE) and detailed magnetization measurements. We find that the zero-field MOKE signal in the superconducting state exhibits a pronounced magnetic-history dependence. This behavior closely resembles the remanent magnetization caused by trapped vortices. Furthermore, we demonstrate that the observed evolution of the MOKE signals is well described by Bean's critical-state model for trapped vortices. Our results establish MOKE as a viable optical and mesoscopic probe of vortex pinning in type-II superconductors, providing a new complementary approach to investigate mixed-state phenomena. We also find that the training-field dependence of the MOKE is linear near zero training field, without any anomalies indicative of spontaneous time-reversal-symmetry breaking in an unconventional superconducting state. Our study defines a clear protocol to distinguish vortex-induced MOKE responses from those associated with a time-reversal-symmetry broken superconducting order parameter.

2606.10259 2026-06-10 cond-mat.str-el 新提交

Coherent manipulation of Kondo Majoranas in two-channel Kondo setups

双通道Kondo体系中Kondo Majorana的相干操控

Yashar Komijani, C. J. Bolech

AI总结 研究双通道Kondo体系中Majorana零模的相干操控,通过紧致化格点模型展示非局域量子比特、隐形传态、融合和编织操作,并区分非拓扑与拓扑Y结几何,后者实现非阿贝尔几何相位。

Comments 29 pages, 8 figures

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AI中文摘要

我们研究了在过屏蔽双通道Kondo体系中涌现的Majorana零模的相干操控。利用紧致化格点模型,我们展示了这些相互作用的Kondo Majorana支持非局域量子比特,并允许隐形传态、融合和编织操作。特别地,我们识别了非拓扑和真正拓扑的Y结几何之间的区别,后者实现了非阿贝尔几何相位。我们的结果为超越传统自由费米子平台的非阿贝尔任意子相干控制建立了一条原理验证路线。

英文摘要

We study coherent manipulation of Majorana zero modes emerging in overscreened two-channel Kondo systems. Using compactified lattice models, we show that these interacting Kondo Majoranas support non-local qubits and admit teleportation, fusion, and braiding operations. In particular, we identify a distinction between non-topological and genuinely topological Y-junction geometries, the latter realizing a non-Abelian geometric holonomy. Our results establish a proof-of-principle route toward coherent control of non-Abelian anyons beyond conventional free-fermion platforms.

2606.10251 2026-06-10 cond-mat.mtrl-sci 新提交

Robust AI-Driven Discovery of Electronic Metal Phosphide Semiconductors

鲁棒的人工智能驱动电子金属磷化物半导体发现

Benhao Zhu, Muhammad Faizan, Zewei Li, Wenshuo Li, Feifei Ren, Jiahao Xie, Lijun Zhang

AI总结 结合生成式材料设计、机器学习原子间势和密度泛函理论,高通量筛选出3574种稳定磷化物,包括196种半导体,并识别出30种光电和26种热电候选材料。

Comments 46 pages, 5 main figures; Supporting Information included

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AI中文摘要

金属磷化物具有多样的键合模式和配位环境,使其在光电和热电应用中具有前景,但其化学空间仍未充分探索。本文报告了一种AI驱动的高通量发现工作流程,该流程结合了生成式材料设计、机器学习原子间势和有针对性的密度泛函理论(DFT)计算。利用ICSD衍生的Wyckoff位点替换和基于MatterGen的条件结构生成,将候选空间扩展到现有磷化物数据库之外。然后,一个领域微调的DPA3机器学习势能在DFT验证之前实现了热力学和动力学稳定性的高效预筛选。该工作流程识别出3,574种先前未报道的稳定磷化物结构,包括196种具有HSE06带隙0-3.0 eV的半导体。通过将这些新半导体与实验已知的磷化物半导体一起筛选,我们识别出30种有前景的光电候选材料和26种有前景的热电候选材料,其中包括7种新发现的光电材料和8种新发现的热电材料。这些结果为实验合成提供了候选池,并表明将生成式AI与机器学习原子间势相结合可以加速功能半导体材料的发现。

英文摘要

Metal phosphides have diverse bonding motifs and coordination environments, making them promising for optoelectronic and thermoelectric applications, but their chemical space remains underexplored. Here we report an AI-driven high-throughput discovery workflow that combines generative materials design, machine-learning interatomic potentials, and targeted density functional theory (DFT) calculations. ICSD-derived Wyckoff-site substitution and MatterGen-based conditional structure generation are used to expand the candidate space beyond existing phosphide databases. A domain-finetuned DPA3 machine-learning potential then enables efficient prescreening of thermodynamic and dynamical stability before DFT validation. This workflow identifies 3,574 previously unreported stable phosphide structures, including 196 semiconductors with HSE06 band gaps of 0-3.0 eV. By screening these new semiconductors together with experimentally known phosphide semiconductors, we identify 30 promising optoelectronic candidates and 26 promising thermoelectric candidates, including seven newly discovered optoelectronic materials and eight newly discovered thermoelectric materials. These results provide a candidate pool for experimental synthesis and show that combining generative AI with machine-learning interatomic potentials can accelerate the discovery of functional semiconductor materials.

2606.10221 2026-06-10 cond-mat.mtrl-sci physics.app-ph physics.chem-ph physics.comp-ph 新提交

Finite-temperature Fe K-edge X-ray absorption simulations reveal local structural dynamics of an iron(II) photosensitizer in solution and the crystalline phase

有限温度Fe K边X射线吸收模拟揭示铁(II)光敏剂在溶液和晶相中的局域结构动力学

Patrick Müller, Lorena Fritsch, Matthias Bauer, Thomas D. Kühne

AI总结 结合Fe K边X射线吸收实验与从头算分子动力学模拟,揭示了铁(II)光敏剂在溶液和晶相中的局域结构动力学,验证了第一配位壳层的相似性并解释了高阶壳层实验对比度的丧失。

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AI中文摘要

解释柔性光敏剂的金属K边光谱需要一个能够将电子特征与热运动、溶剂无序和晶体堆积效应分开的结构模型。我们将Fe K边X射线吸收测量与第二代Car-Parrinello从头算分子动力学以及全电子高斯和增广平面波模拟相结合,研究了一种铁(II) N-杂环卡宾光敏剂在乙腈溶液和晶相中的行为。系综平均光谱重现了两种环境下的主要近边特征,并保持了实验观察到的溶解后第一Fe配位壳层的相似性。与从扩展精细结构测量中提取的径向分布的比较验证了轨迹采样的Fe-N和Fe-C配位壳层,而元素分辨的配对分布解释了为什么高阶壳层实验对比度迅速丧失。相同的动力学系综揭示了三联吡啶氮原子的宽面外分布和Fe中心配位平面的近八面体分布。结果表明,有限温度X射线吸收模拟可以通过将局域光谱、溶剂相配体运动和中程结构无序结合在一个基于轨迹的描述中,提供分子过渡金属光敏剂的紧凑结构动力学图像。

英文摘要

Interpreting metal K-edge spectra of flexible photosensitizers requires a structural model that separates electronic signatures from thermal motion, solvent disorder, and crystal-packing effects. We combine Fe K-edge X-ray absorption measurements with second-generation Car--Parrinello ab initio molecular dynamics and all-electron Gaussian and augmented-plane-wave simulations for an iron(II) N-heterocyclic carbene photosensitizer in acetonitrile solution and in the crystalline phase. Ensemble-averaged spectra reproduce the main near-edge features in both environments and preserve the experimentally observed similarity of the first Fe coordination shell upon dissolution. Comparison with radial distributions extracted from extended fine-structure measurements validates the Fe--N and Fe--C coordination shells sampled by the trajectories, while element-resolved pair distributions explain why higher-shell experimental contrast is rapidly lost. The same dynamical ensembles reveal a broad out-of-plane distribution of the terpyridine nitrogen atom and a nearly octahedral distribution of the Fe-centered coordination planes. The results show that finite-temperature X-ray absorption simulations can provide a compact structural-dynamics picture of molecular transition metal photosensitizers by linking local spectra, solvent-phase ligand motion, and medium-range structural disorder within one trajectory-based description.

2606.10195 2026-06-10 cond-mat.mtrl-sci physics.comp-ph 新提交

Graphlet Histogram Representation Database of Inorganic Crystals

无机晶体的图元直方图表示数据库

Aaditya Panigrahi, Yanjun Liu, Omri Lesser, Krishnanand Mallayya, Eun-Ah Kim

AI总结 提出Graphlet-MP数据库,通过图元直方图表示149,082种无机晶体,结合原子位点、键对和键角三元组,提供数据高效、可解释的结构描述,并附带开源代码。

Comments 5 pages, 2 figures

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AI中文摘要

材料性能预测的机器学习模型越来越依赖于从大型密度泛函理论数据库中端到端学习的表示,这限制了它们在仅有稀缺实验数据时的适用性。仅从晶体结构预计算的领域知识驱动表示提供了一种数据高效、可解释的替代方案,但现有方法最多捕获组成或键连接性,而忽略了局部结构几何。在这里,我们提出了Graphlet-MP,一个包含来自材料项目(MP)的149,082种无机晶体的图元直方图表示数据库。七十九种分布描述了每种材料在三个层次图元阶数上的特征:原子位点、键对和键角三元组,通过筛选的Voronoi镶嵌从晶体学信息文件中提取。我们提供了该表示的完整技术规范、用于比较该空间中材料的推土机距离度量以及完整的预计算数据库。附带的开源代码库使用户能够为任意晶体结构(包括实验确定的晶体结构)生成图元直方图,并将数据库扩展到新材料或目标属性。

英文摘要

Machine learning models for materials property prediction increasingly rely on representations learned end-to-end from large density-functional-theory databases, limiting their applicability when only scarce experimental data are available. Domain-knowledge-driven representations precomputed from crystal structures alone offer a data-efficient, interpretable alternative, but existing approaches capture at most composition or bonding connectivity and discard local structural geometry. Here, we present Graphlet-MP, a database of graphlet histogram representations for 149,082 inorganic crystals from the Materials Project (MP). Seventy-nine distributions describe each material over three hierarchical graphlet orders: atomic sites, bonded pairs, and bond-angle triplets, extracted via screened Voronoi tessellation from the crystallographic information file. We provide a complete technical specification of the representation, an Earth Mover's Distance metric for comparing materials in this space, and the full precomputed database. An accompanying open-source codebase enables users to generate graphlet histograms for arbitrary crystal structures, including experimentally determined ones, and to extend the database to new materials or target properties.

2606.10178 2026-06-10 cond-mat.mtrl-sci 新提交

Pressure-Driven Structural Phase Competition and Functional Response in Layered LiInP2S6

层状LiInP2S6中压力驱动的结构相竞争与功能响应

Xiaochi Xie, Pegah Mohammadi, Sobhit Singh

AI总结 通过第一性原理计算,研究LiInP2S6三种多型体在压力下的结构相变,发现单斜C2/c相在约0.38 GPa转变为三角P-31c层内相,且电子和光学性质在相变时显著变化。

Comments 13 pages, 9 figures

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AI中文摘要

理解静水压力如何改变层间相互作用和竞争离子构型,对于控制层状量子材料的新兴功能特性至关重要。本文利用第一性原理密度泛函理论计算,研究了三种竞争性LiInP2S6多型体(单斜C2/c相和三角P-31c相的层内和层间间隙构型)的压力依赖的结构、力学、电子和光学性质。我们的结果揭示了从单斜基态C2/c相到三角P-31c层内相在约0.38 GPa的压力诱导结构相变,由增强的层间耦合和各向异性晶格压缩驱动。相反,三角P-31c层间间隙相由于更强的层间离子相互作用和减小的压缩性,在能量上仍然不利。所有相在压缩下(0-26 GPa)保持机械稳定,并随着压力增加表现出增强的机械刚度、弹性波速和德拜温度。值得注意的是,每个相内的电子和光学性质在压力下高度稳健,带隙和光学吸收边(紫外-可见范围)仅发生适度变化;然而,在压力诱导的结构相变中出现了显著的改变。这些发现确立了LiInP2S6作为一种压力敏感的离子-范德华材料,其中层间相互作用的微妙变化决定了结构稳定性和功能性质。

英文摘要

Understanding how hydrostatic pressure modifies interlayer interactions and competing ionic configurations is essential for controlling the emergent functional properties of layered quantum materials. Here, using first-principles density-functional theory calculations, we investigate the pressure-dependent structural, mechanical, electronic, and optical properties of three competing LiInP2S6 polymorphs: the monoclinic C2/c phase and the trigonal P-31c phase in both in-layer and in-gap configurations. Our results reveal a pressure-induced structural phase transition from the monoclinic ground-state C2/c phase to a trigonal P-31c in-layer phase at ~0.38 GPa, driven by enhanced interlayer coupling and anisotropic lattice compression. In contrast, the trigonal P-31c in-gap phase remains energetically unfavorable due to its stronger interlayer ionic interactions and reduced compressibility. All phases remain mechanically stable under compression (0-26 GPa) and exhibit enhanced mechanical rigidity, elastic wave velocities, and Debye temperatures with increasing pressure. Remarkably, the electronic and optical properties within each phase remain highly robust under pressure, with only moderate changes in the band gap and optical absorption edge (UV-Visible range) under pressure; however, substantial modifications emerge across the pressure-induced structural phase transition. These findings establish LiInP2S6 as a pressure sensitive ionic-vdW material in which subtle changes in interlayer interactions govern structural stability and functional properties.

2606.10162 2026-06-10 cond-mat.supr-con 新提交

Microscopic Investigation of the Superconducting State in CuCo$_{2}$S$_{4}$: Evidence for an Intermediate-Coupling Fully Gapped Superconductor

CuCo$_{2}$S$_{4}$中超导态的微观研究:中间耦合全能隙超导体的证据

K. Panda, A. Bhattacharyya, Liang-Wen Ji, Jing Li, R. Stewart, D. T. Adroja, Guang-Han Cao

AI总结 利用μ子自旋旋转和弛豫测量,结合磁化和热容实验,首次微观研究了CuCo$_2$S$_4$的超导态,发现其为全能隙超导体,能隙比3.95(2)表明中间电子-声子耦合,且未观察到时间反演对称性破缺。

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Journal ref
Journal of Alloys and Compounds 1061, 187405 (2026)
AI中文摘要

硫尖晶石化合物CuCo$_2$S$_4$为探索过渡金属硫族化物尖晶石中的超导电性提供了一个有吸引力的平台。这里,我们报告了利用μ子自旋旋转和弛豫($\mu$SR)测量,辅以磁化和热容实验,对CuCo$_2$S$_4$中超导态的首次微观研究。从横向场$\mu$SR测量得到的超导退极化率的温度依赖性表明了一个全能隙超导序参量。提取的能隙比$2\Delta(0)/(k_{\mathrm{B}}T_\mathrm{SC}) = 3.95(2)$超过了BCS弱耦合值3.53,将CuCo$_2$S$_4$置于中间电子-声子耦合区域。进行了零场$\mu$SR测量以探测超导态中可能的时间反演对称性破缺(TRSB)。在实验分辨率内,在$T_c$以下未观察到额外的自发内磁场。然而,由于铁磁杂质相的存在以及相关的快弛豫信号分量,当前测量对弱自发场的灵敏度降低。因此,尽管未检测到TRSB的证据,但其存在不能被明确排除。总体而言,我们结合热力学和$\mu$SR结果表明,CuCo$_2$S$_4$表现出具有中间耦合强度的全能隙超导态,与该钴基硫尖晶石体系中的常规$s$波超导电性一致。

英文摘要

The thiospinel compound CuCo$_2$S$_4$ provides an attractive platform for exploring superconductivity in transition-metal chalcogenide spinels. Here, we report the first microscopic investigation of the superconducting state in CuCo$_2$S$_4$ using muon spin rotation and relaxation ($μ$SR) measurements, complemented by magnetization and heat-capacity experiments. The temperature dependence of the superconducting depolarization rate obtained from transverse-field $μ$SR measurements indicates a fully gapped superconducting order parameter. The extracted gap ratio $2Δ(0)/(k_{\mathrm{B}}T_\mathrm{SC}) = 3.95(2)$ exceeds the BCS weak-coupling value of 3.53, placing CuCo$_2$S$_4$ in the intermediate electron-phonon coupling regime. Zero-field $μ$SR measurements were performed to probe possible time-reversal symmetry breaking (TRSB) in the superconducting state. Within the experimental resolution, no additional spontaneous internal magnetic fields are observed below $T_c$. However, due to the presence of a ferromagnetic impurity phase and the associated fast-relaxing signal component, the sensitivity of the present measurements to weak spontaneous fields is reduced. Consequently, while no evidence for TRSB is detected, its existence cannot be definitively ruled out. Overall, our combined thermodynamic and $μ$SR results demonstrate that CuCo$_2$S$_4$ exhibits a fully gapped superconducting state with intermediate coupling strength, consistent with conventional $s$-wave superconductivity in this cobalt-based thiospinel system.

2606.10145 2026-06-10 cond-mat.soft cond-mat.stat-mech 新提交

Beyond the Markovian limit: Exact solutions for active motion in a power-law viscoelastic bath

超越马尔可夫极限:幂律粘弹性浴中主动运动的精确解

Mintu Karmakar, Jure Dobnikar, Ignacio Pagonabarraga

AI总结 通过求解非马尔可夫广义朗之万方程,解析研究了幂律粘弹性介质中主动粒子的运动,揭示了分数短时输运、增强长时持续性和力-取向去相关等新现象。

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AI中文摘要

从细菌到合成微泳者的主动粒子通常会在具有复杂松弛动力学的粘弹性介质中运动。经典主动布朗模型假设瞬时摩擦,显然不适用于描述这种运动,而结合粘弹性的非马尔可夫过程相对未被探索。在这里,我们通过求解平动和转动自由度的耦合非马尔可夫广义朗之万方程,发展了一个幂律粘弹性介质中主动粒子的解析理论。粘弹性记忆导致新现象,如分数短时输运、增强长时持续性和瞬时力与泳者取向的去相关。我们证明记忆核控制反常标度指数,而活性决定亚扩散、弹道和扩散状态之间的交叉。我们的工作为复杂生物和聚合物环境中生物和合成微泳者的理论描述提供了框架。

英文摘要

Active particles from bacteria to synthetic microswimmers often navigate viscoelastic media with complex relaxation dynamics. The classical active Brownian model that assumes instantaneous friction is clearly not applicable to describe such motility, while the non-Markovian processes combined with viscoelasticity are relatively unexplored. Here, we develop an analytical theory for an active particle in a power-law viscoelastic medium by solving coupled non-Markovian generalized Langevin equations for translational and rotational degrees of freedom. The viscoelastic memory results in novel phenomena such as fractional short-time transport, enhanced long-time persistence, and de-correlation of the instantaneous force and the swimmer orientation. We demonstrate that the memory kernel controls the anomalous scaling exponents, while the activity determines the crossover between sub-diffusive, ballistic and diffusive regimes. Our work provides a framework for theoretical description of biological and synthetic micro swimmers in complex biological and polymeric environments.

2606.10144 2026-06-10 cond-mat.mtrl-sci cond-mat.supr-con physics.acc-ph 新提交

Synthesis and Characterization of Atomically-Sharp Superconductor-Dielectric Interface

原子级尖锐超导体-介质界面的合成与表征

Nathan Sitaraman, Zhaslan Baraissov, Alexis Grassl, Hongbin Yang, Daniel Tong, David Muller, Matthias Liepe

AI总结 通过ZrO₂覆盖层在铌上形成原子级尖锐的晶体界面,抑制无序缺陷和氧化铌再生,提升超导量子器件的相干时间。

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AI中文摘要

已知超导体-介质界面的修饰会强烈影响超导量子器件的相干时间。这种关系被认为源于无序电介质和超导体-介质界面中“双能级系统”缺陷浓度的差异;这些缺陷与器件中的电磁模式耦合并导致耗散。近年来,铌上的氧化锆阻挡层已成为实现低损耗界面的有前景途径,这显然是由于这些层相较于非晶铌原生氧化物的晶体性质。我们根据ZrO$_2$的化学性质以及Nb-Zr-O三元体系,解释了氧化锆形成晶体层、保持与金属铌的尖锐界面以及防止铌氧化物再生长的独特能力。我们展示了一种在铌上生长空气稳定氧化锆层的新方法,其结晶度高于先前报道,且氧化物-金属界面更尖锐,并提供了ZrO$_2$覆盖层性质的首次全面微观分析。这些发展为超导量子器件的关键性能提升铺平了道路。

英文摘要

Modification of superconductor-dielectric interfaces is known to strongly impact coherence times of superconducting quantum devices. This relationship is thought to arise from differences in the concentration of "two-level system" defects in the disordered dielectrics and superconductor-dielectric interfaces; these defects couple to electromagnetic modes in the device and cause dissipation. Zirconium oxide barrier layers on niobium have emerged as a promising pathway to low-loss interfaces in recent years, evidently due to the crystalline nature of these layers in comparison to the amorphous niobium native oxide. We explain the unique ability of zirconium oxide to form a crystalline layer, to maintain a sharp interface with metallic niobium, and to prevent niobium oxide re-growth in terms of the chemical properties of ZrO$_2$ and the Nb-Zr-O ternary system. We demonstrate a new method to grow air-stable zirconium oxide layers on niobium with a higher level of crystallinity and a sharper oxide-metal interface than previously shown, and provide the first comprehensive microscopic analysis of ZrO$_2$ capping layer properties. These developments pave the way toward vital performance advances in superconducting quantum devices.

2606.10139 2026-06-10 cond-mat.mtrl-sci 新提交

Predicting Defect States: A Quick Screening Protocol for Substitutional Point Defect Engineering

预测缺陷态:替代点缺陷工程的快速筛选协议

Hyosik Kang, Lukas Muechler

AI总结 提出一种基于原胞的紧束缚协议,通过构建超胞模型并修改替代位点能,快速预筛选替代缺陷,在过渡金属二硫化物、六方氮化硼和金刚石中成功捕获带隙态特征。

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AI中文摘要

晶体材料中的点缺陷在决定电子、光学和磁性质中起核心作用。然而,由于需要大型超胞计算来近似周期性边界条件下的孤立缺陷,缺陷构型的系统探索在计算上仍然昂贵。我们提出一种基于原胞的紧束缚协议,能够快速预筛选替代缺陷。该协议从宿主和类缺陷系统的小型、完全弛豫原胞中提取Wannier紧束缚哈密顿量,复制宿主哈密顿量以构建超胞模型,并通过仅修改替代位点的在位能(保持跳跃参数不变)引入缺陷。我们在三个不同系统中验证了该协议:过渡金属二硫化物中的同结构替代缺陷(M$_\mathrm{Mo}$ MoS$_2$,M = Ce, Zr, Nb, Tc, Ru)、六方氮化硼中的对称性破缺碳替代(C$_\mathrm{B}$C$_\mathrm{N}$ h-BN)以及金刚石中的氮-空位(NV$^-$)中心。这些案例研究涵盖了二维和三维宿主、简单替代以及替代-空位复合体。在所有情况下,尽管在绝对能量位置存在一些定量偏差,该协议成功捕获了带隙态的数量、简并度以及相对于宿主带边的浅能级或深能级特征。我们进一步指出了对于高电负性原子空位以及电荷态或自旋极化效应的局限性,这两种情况都涉及协议未捕获的自洽电荷重新分布。

英文摘要

Point defects in crystalline materials play a central role in determining electronic, optical, and magnetic properties. However, systematic exploration of defect configurations remains computationally expensive because large supercell calculations are required to approximate isolated defects under periodic boundary conditions. We present a unit-cell-based tight-binding protocol that enables rapid pre-screening of substitutional defects. The protocol extracts Wannier tight-binding Hamiltonians from small, fully relaxed unit cells of the host and defect-like systems, replicates the host Hamiltonian to construct a supercell model, and introduces the defect by modifying only the on-site energies at the substitution site while leaving the hopping parameters unchanged. We validate the protocol across three diverse systems: isostructural substitutional defects in transition-metal dichalcogenides (M$_\mathrm{Mo}$ MoS$_2$, M = Ce, Zr, Nb, Tc, and Ru), symmetry-breaking carbon substitutions in hexagonal boron nitride (C$_\mathrm{B}$C$_\mathrm{N}$ h-BN), and nitrogen-vacancy (NV$^-$) centers in diamond. These case studies span two-dimensional and three-dimensional hosts, simple substitutions, and substitution-vacancy complexes. In all cases, the protocol successfully captures the number of in-gap states, their degeneracies, and their shallow or deep character relative to host band edges, despite some quantitative deviations in absolute energy positions. We further identify limitations for vacancies of highly electronegative atoms and for charge-state or spin-polarization effects, both of which involve self-consistent charge redistribution not captured by the protocol.

2606.10101 2026-06-10 cond-mat.str-el 新提交

Correlation-driven phonon renormalisation and the equation of state of $γ$-cerium

关联驱动的声子重整化与γ-铈的状态方程

Yao Wei, Siyu Chen, Evgeny Plekhanov, Ivan Stich, Cedric Weber, Jan M. Tomczak

AI总结 通过动态平均场理论结合声子自由能,研究电子关联对γ-铈声子谱和状态方程的影响,发现声子修正显著改善平衡体积预测。

Comments 12 pages, 6 figures

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AI中文摘要

我们通过评估动态平均场理论(DMFT)框架内声子自由能的关键作用,研究了元素铈的热力学性质。虽然传统的密度泛函理论(DFT)通常无法捕捉$f$电子材料复杂的能量景观,但我们的方法将多体电子关联与晶格动力学相结合,以实现对状态方程更严格的描述。我们在DFT和DFT+DMFT水平上计算了总能量作为晶格常数的函数,随后加入了从声子态密度导出的振动自由能。我们的发现表明,力常数的电子重整化显著改变了声子谱,特别是在强关联的$\gamma$相中。通过将这些声子修正应用于能量曲线,我们观察到预测平衡体积的显著改进。利用基于主成分的机器学习,我们从有限的第一性原理计算集合中连续插值声子色散,并与实验进行比较,发现与忽略动态多体关联的传统DFT和DFT+U计算相比,一致性显著提高。这项研究强调了在评估镧系元素在不同压力和温度下的相稳定性和结构转变时,必须同时考虑电子熵和振动熵。

英文摘要

We investigate the thermodynamic properties of elemental cerium by assessing the crucial role of phonon free energy within the framework of dynamical mean-field theory (DMFT). While conventional density functional theory (DFT) often fails to capture the intricate energy landscape of $f$-electron materials, our approach integrates many-body electronic correlations with lattice dynamics to achieve a more rigorous description of the equation of state. We calculate the total energy as a function of the lattice constant at both the DFT and DFT+DMFT levels, subsequently incorporating the vibrational free energy derived from the phonon density of states. Our findings reveal that electronic renormalisation of the force constants significantly alters the phonon spectra, particularly in the strongly correlated $γ$-phase. By applying these phonon corrections to the energy profiles, we observe a substantial refinement in the predicted equilibrium volumes. Using principal-component-based machine learning, we interpolate phonon dispersions continuously from a finite set of first-principles calculations and compare them to experiment, finding significantly closer agreement compared to conventional DFT and DFT+U calculations that neglect dynamical many-body correlations. This study underlines the necessity of accounting for both electronic and vibrational entropy when evaluating the phase stability and structural transitions of lanthanide systems under varying pressures and temperatures.

2606.10077 2026-06-10 cond-mat.str-el 新提交

Atomic-scale visualization of the toroidal order in a trimeric Dy(III) single-molecule toroic

三核Dy(III)单分子环磁体中环状有序的原子尺度可视化

Michael J. Jenkins, Madalynn G. Marshall, Jie Xing, Muthu Satheeshkumar, Brandon D. Watson-Sanders, Xiaoping Wang, Christina M. Hoffmann, Gopalan Rajaraman, Huibo Cao, Rongying Jin, Zi-Ling Xue

AI总结 利用极化中子衍射、变场中子衍射、从头计算和磁测量相结合的方法,首次实现了对三核Dy(III)单分子环磁体中环状磁矩的直接观测与定量表征。

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AI中文摘要

单分子环磁体(SMTs)利用化合物中头尾相接的自旋排列,为下一代量子器件提供了独特平台。SMTs中环状磁矩的存在主要基于磁测量和从头计算。本文通过极化中子衍射(PND)对[Dy3(OH)(teaH2)3(paa)3]Cl(OMe) [teaH3: 三乙醇胺; paaH: N-(2-吡啶基)-乙酰乙酰胺]中Dy3+磁化率张量的映射,报道了对环状磁矩的观测和探测。变磁场下的中子衍射显示沿c轴存在场致磁化,且环状磁矩反平行堆叠,为环状磁矩提供了确凿证据。磁测量研究证实了环状基态。首次将PND、变场中子衍射、从头计算和磁测量相结合,作为探测分子尺度环状磁性的稳健定量方法。这种综合方法克服了早期间接方法的局限性,为研究SMTs建立了基准框架,并为分子量子材料的设计提供了宝贵见解。

英文摘要

Single-molecule toroics (SMTs) offer a unique platform for next-generation quantum devices utilizing head-to-tail spin alignments in the compounds. Presence of toroidal moments in SMTs has been essentially based on magnetometry and ab initio calculations. Here, we report observation and probe of the toroidal moment in [Dy3(OH)(teaH2)3(paa)3]Cl(OMe) [teaH3: triethanolamine; paaH: N-(2-pyridyl)-acetoacetamide] from mapping of Dy3+ magnetic susceptibility tensors by polarized neutron diffraction (PND). Neutron diffraction under variable magnetic fields demonstrates field-induced magnetization along the c-axis with toroidal moments anti-parallelly stacked, providing definite proof of the toroidal moment. Magnetometry studies confirm the toroidal ground state. For the first time, the combined use of PND, variable-field neutron diffraction, ab initio calculations, and magnetometry is introduced as a robust and quantitative methodology to probe molecular-scale toroidal magnetism. This integrated approach overcomes limitations of earlier indirect methods, establishes a benchmark framework for investigating SMTs, and provides valuable insights for the design of molecular quantum materials.

2606.10067 2026-06-10 cond-mat.dis-nn cond-mat.mes-hall cond-mat.stat-mech 新提交

Jittery Quantum Boomerang Effect

抖动量子回旋镖效应

Pedro Dornelas, Gerson J. Ferreira

AI总结 研究无序Rashba二维电子气中自旋极化波包的动力学,发现纵向和横向运动通过不同机制返回原点的抖动量子回旋镖效应。

Comments 4 figures, 9 pages

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AI中文摘要

我们研究了无序Rashba二维电子气中自旋极化波包的动力学,并识别出一种抖动量子回旋镖效应,其中纵向和横向运动通过根本不同的机制返回原点。从沿$x$方向具有有限动量且自旋沿$z$方向极化的初始状态出发,我们通过将时间演化算符的切比雪夫展开与无序系综平均相结合来计算时间演化。在弱散射区域,从量子动力学方程导出的运动方程再现了数值趋势,并表明杂质散射作为一种粘性阻尼机制,抑制了瞬态Zitterbewegung,并在长时间尺度上驱动横向位移回到$y=0$。相比之下,纵向动力学在弱无序下表现出类似Drude的饱和。这些结果与无序Rashba模型中本征自旋霍尔电导率的消失以及时域中瞬态本征自旋霍尔效应的实验观察一致。随着无序增加,纵向动力学演变为向原点的部分返回,这标志着从弱反局域化到二维安德森局域化的转变。

英文摘要

We study the dynamics of a spin-polarized wave packet in a disordered Rashba two-dimensional electron gas and identify a jittery quantum boomerang effect in which longitudinal and transverse motion return to the origin through fundamentally distinct mechanisms. Starting from an initial state with finite momentum along $x$ and spin polarized along $z$, we calculate the time evolution by combining a Chebyshev expansion of the time-evolution operator with a disorder ensemble average. In the weak-scattering regime, equations of motion derived from the quantum kinetic equation reproduce the numerical trends and show that impurity scattering acts as a viscous damping mechanism that suppresses the transient Zitterbewegung and drives the transverse displacement back to $y=0$ at long times. In contrast, the longitudinal dynamics show a Drude-like saturation at weak disorder. These results are consistent with the vanishing intrinsic spin Hall conductivity in the disordered Rashba model and with experimental observations of a transient intrinsic spin Hall effect in the time-domain. As disorder increases, the longitudinal dynamics evolve to a partial return toward the origin, which signals a transition from weak antilocalization to Anderson localization in 2D.

2606.10043 2026-06-10 cond-mat.supr-con 新提交

Distribution of Majorana modes in the extended-range Kitaev chain

扩展范围Kitaev链中马约拉纳模的分布

Pedro B. Widniczck, Gerardo Martínez

AI总结 研究具有代数衰减配对和跳跃项的扩展范围Kitaev链的拓扑性质,通过马约拉纳平均位置测量边缘模空间分布,揭示基态费米子宇称与边缘占据数的直接关联。

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AI中文摘要

研究了具有扩展范围相互作用的Kitaev链模型的拓扑性质,重点关注拓扑绕数保持不变的情况。我们假设配对项和跳跃项在空间上分别以指数$\alpha$和$\beta$代数衰减。我们证明,在截断范围场景中,存在与耦合邻近站点数量一样多的不同拓扑相。此外,提供了明确的解析公式来评估拓扑不变量和这些系统中出现的相变。除了解析描述外,我们通过测量马约拉纳平均位置处的边缘模空间分布,引入了对基态拓扑激发的新物理洞察。以次近邻Kitaev链为探针,在有限尺寸团簇中进行了各种马约拉纳边缘态的数值计算,以确定拓扑零能模对感兴趣参数的敏感性。计算了边缘到边缘非局域费米子态的占据数,并将其定义为有效宇称。这种有效宇称表现出超越基态费米子宇称开关能量交换的新有趣特征,这些特征与各自边缘模的分布有关。我们的计算显示了基态费米子宇称与边缘占据数之间的直接相关性,这转化为马约拉纳平均位置的局域化和退局域化。

英文摘要

The topological properties of the Kitaev chain model with extended-range interactions are investigated, focusing on cases where the topological winding number is preserved. We assume that the pairing and hopping terms decay algebraically in space with exponents $α$ and $β$, respectively. We show that in the truncated-range scenario, there are as many distinct topological phases as the number of coupled neighboring sites. In addition, an explicit analytical formulation is provided to evaluate the topological invariant and the phase transitions that emerge in these systems. Besides the analytical description, we introduce a new physical insight into the topological excitations of the ground-state by measuring the spatial distribution of the edge modes with the Majorana average position. Taking the next-nearest neighbor Kitaev chains as a probe, various numerical calculations of Majorana edge states were performed in finite-size clusters to determine the sensitivity of the topological zero energy modes to the parameters of interest. The occupation of edge-to-edge non-local fermion states is computed and defined as an effective parity. Such an effective parity exhibits new interesting features beyond the energetic exchange from the ground-state fermion parity switches, which are related to the distribution of the respective edge modes. Our calculations show a direct correlation between the ground-state fermion parity and the edge occupation numbers, which are translated into localization and delocalization of the Majorana average position.

2606.10003 2026-06-10 cond-mat.str-el 新提交

Exactly solvable non-planar $\mathbb{Z}_{2}$ dimer liquids on checkerboard and ruby lattices

棋盘格和红宝石格上精确可解的非平面 $\mathbb{Z}_{2}$ 二聚体液体

Julia Wildeboer, Zohar Nussinov, Thomas Iadecola, Alexander Seidel

AI总结 将精确可解量子二聚体模型从三价母格推广到四价母格,在交叉中间格上构建非平面二聚体液体,实现与环面码的直接映射,并扩展Kasteleyn方法至非平面图。

Comments 22 pages, 10 figures

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AI中文摘要

我们将一个具有对偶Ising规范理论描述、实现$\mathbb{Z}_{2}$拓扑相的可精确求解量子二聚体模型的有影响力的框架从三价母格推广到四价母格。得到的量子二聚体模型存在于交叉中间格上,并具有交叉plaquette的显著特征,导致具有一般相交环的过渡图。这种非平面结构与可解析处理的二聚体液体的既定模板相悖。作为该构造的最简单实现,我们引入了棋盘格上的一个精确可解量子二聚体模型,该模型允许精确映射到环面码,从而为后者与Anderson短程共振价键范式之间提供了特别直接的联系。我们进一步表明,相应的交叉红宝石格构造(对偶于kagome格上的Ising规范理论)自然属于同一框架。更一般地,该构造产生了一类广泛的精确可解交叉中间量子二聚体模型,并允许自然迭代,生成超出标准平面设置的可解$\mathbb{Z}_{2}$拓扑二聚体液体级联。此外,我们将Kasteleyn方法扩展到相关的非平面图,使得在保持关联函数高效评估的同时,能够对波函数进行可控的变形,远离对易投影点。

英文摘要

We generalize an influential framework for exactly solvable quantum dimer models with dual Ising gauge theory descriptions realizing the $\mathbb{Z}_{2}$ topological phase from trivalent to tetravalent parent lattices. The resulting quantum dimer models live on crossed-medial lattices and possess the remarkable feature of having crossed plaquettes, leading to transition graphs with generically intersecting loops. This non-planar structure runs counter to established templates for analytically tractable dimer liquids. As the simplest realization of the construction, we introduce an exactly solvable quantum dimer model on the checkerboard lattice that allows an exact mapping to the toric code, thus providing a particularly direct connection between the latter and Anderson's short range resonating valence bond paradigm. We further show that a corresponding crossed ruby lattice construction, dual to an Ising gauge theory on the kagome lattice, naturally falls within the same framework. More generally, the construction gives rise to a broad class of exactly solvable crossed-medial quantum dimer models and admits natural iteration, generating cascades of solvable $\mathbb{Z}_{2}$ topological dimer liquids beyond the standard planar setting. We furthermore extend Kasteleyn methods to the relevant non-planar graphs, enabling controlled wave-function deformations away from the commuting-projector points while retaining efficient evaluation of correlation functions.

2606.10001 2026-06-10 cond-mat.mes-hall cond-mat.mtrl-sci 新提交

Fabry-Perot Interference, g-factor Anisotropy, and Gate-Tunable Quantum dot in Chiral Tellurium Nanowires

手性碲纳米线中的法布里-珀罗干涉、g因子各向异性和栅极可调量子点

Suresh Ghimire, Mohammad Hafijur Rahaman, Nathan Tanner Sawyers, Madan Mohan Bhandari, Gokul Acharya, Syed Zulfiqar Hussain Shah, Iris Nandhakumar, Pawan Kumar, Zainul Aabdin Khan, Hugh O. H. Churchill, Dharmraj Kotekar-Patil

AI总结 通过水热生长碲纳米线实现准弹道输运、各向异性塞曼谱和栅极可调量子点,揭示自旋轨道能隙和巨g因子,为自旋量子比特和Majorana零模提供平台。

Comments Main text 25 pages, 6 figures, SI 3 figures

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AI中文摘要

具有强自旋轨道耦合的手性材料为探索拓扑、手性和量子输运之间的相互作用提供了独特平台,然而元素碲纳米结构中的量子相干区域仍 largely 未被探索。在这里,我们展示了水热生长的t-碲纳米线中的相位相干准弹道输运、各向异性塞曼谱和栅极可调量子点形成。单纳米线场效应晶体管表现出p型输运,空穴迁移率从210 K时的约80 cm2 V-1 s-1上升到1 K时的约190 cm2 V-1 s-1,这与在50 K附近从声子限制到库仑散射主导的交叉一致。值得注意的是,器件根据其室温两端电阻分为两个不同区域:低电阻器件(< 30 kOhm)表现出法布里-珀罗干涉,而高电阻器件(> 30 kOhm)显示库仑阻塞行为,揭示了两端电阻驱动的准弹道和强局域化输运区域之间的转变。在面内和面外磁场中的塞曼谱产生了高度各向异性的Lande g因子(面内g平行 = 1.18,面外g垂直 = 18.41),并直接从避免交叉中解析出自旋轨道能隙DeltaSO = 0.864 meV。这些结果确立了手性碲纳米线作为一个多功能平台,用于利用大的可调g因子实现栅极定义的自旋量子比特,以及用于在元素vdW系统中针对Majorana零模的混合碲-超导体架构。

英文摘要

Chiral materials with strong spin-orbit coupling offer a unique platform for exploring the interplay between topology, chirality, and quantum transport yet the quantum coherent regime in elemental tellurium nanostructures remains largely unexplored. Here we demonstrate phase-coherent quasi-ballistic transport, anisotropic Zeeman spectroscopy, and gate-tunable quantum dot formation in hydrothermally grown t-tellurium nanowires. Single nanowire field-effect transistors exhibit p-type transport with hole mobilities rising from approx. 80 cm2 V-1 s-1 at 210 K to approx. 190 cm2 V-1 s-1 at 1 K, consistent with a crossover from phonon-limited to Coulomb scattering dominated regimes near 50 K. Notably, devices segregate into two distinct regimes based on their room temperature two-terminal resistance : low-resistance devices (< 30 kOhm) exhibit Fabry-Perot interference, whereas high resistance devices (> 30 kOhm) display Coulomb-blockade behavior revealing a two-terminal resistance-driven transition between quasi-ballistic and strongly localized transport regimes. Zeeman spectroscopy in in-plane and out-of-plane magnetic fields yields highly anisotropic Lande g-factors (an in-plane gparallel = 1.18 and an out-of-plane gperp = 18.41) and directly resolves a spin-orbit energy gap DeltaSO = 0.864 meV from an avoided crossing. These results establish chiral tellurium nanowires as a versatile platform for gate-defined spin qubits exploiting large, tunable g-factors and for hybrid tellurium-superconductor architectures targeting Majorana zero modes in an elemental vdW system.

2606.09989 2026-06-10 cond-mat.supr-con 新提交

Quantum-geometric origin of superfluid weight in quasicrystals with critical states

准晶中临界态超流重量的量子几何起源

Kazuma Saito, Ryo Okugawa, Yusuke Kato, Takami Tohyama

AI总结 研究准周期系统中临界态对超流重量的几何效应,发现超流重量主要由量子几何贡献主导,揭示了超导与临界态之间的基本相互作用。

Comments 6 pages, 2 figures

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AI中文摘要

许多准周期系统的一个显著特征是存在既非扩展也非指数局域的临界态。我们研究了零温下具有临界态的准周期系统中超流重量的几何效应。我们采用实空间和动量空间两种方法处理准晶中的超流重量,从而能够分离常规贡献和量子几何贡献。我们发现,在具有临界态的准周期系统中,超流重量主要由几何贡献主导。这一发现揭示了准晶中超导与临界态之间的基本相互作用。

英文摘要

A distinctive feature of many quasiperiodic systems is the presence of critical states that are neither extended nor exponentially localized. We investigate the geometric effect on the superfluid weight in quasiperiodic systems with critical states at zero temperature. We employ both real-space and momentum-space approaches to superfluid weight in quasicrystals, which allows us to separate the conventional and quantum geometric contributions. We find that the superfluid weight is dominated by the geometric contribution in quasiperiodic systems with critical states. This finding reveals a fundamental interplay between superconductivity and critical states in quasicrystals.

2606.09911 2026-06-10 cond-mat.stat-mech 新提交

Quantum Otto and Carnot Cycles via Skew Ising Model

通过斜场伊辛模型的量子奥托和卡诺循环

Neda Valizadeh, Nayyere Einali Saghavaz, Zahra Ebadi, Hosein Mohammadzadeh

AI总结 研究基于斜磁场下两自旋系统的量子热机和制冷机,比较卡诺循环和奥托循环,发现相互作用和 anisotropy 可提升热力学性能。

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AI中文摘要

我们研究了基于受斜磁场作用的两自旋系统的量子热机和制冷机的热力学性能。工作物质由一个相互作用的自旋模型描述,该模型包含了自旋-自旋耦合和由倾斜磁场引起的各向异性。我们分析并比较了量子卡诺循环和奥托循环,表明卡诺循环表现出具有平滑相界的普适熵驱动行为,而奥托循环则展现出由能谱与非平衡布居差相互作用支配的更丰富结构。特别地,我们识别出效率和性能系数随相互作用强度的交叉行为,这源于相互作用能标与磁场之间的竞争。我们进一步证明,斜角引起态杂化,改变了能级和占据概率。我们的结果强调,适当调节的相互作用和各向异性可以增强热力学性能,并突出了多能级效应在量子热机设计中的重要性。

英文摘要

We investigate the thermodynamic performance of quantum heat engines and refrigerators based on a two-spin system subject to a skew magnetic field. The working substance is described by an interacting spin model that incorporates both spin--spin coupling and anisotropy induced by a tilted magnetic field. We analyze and compare quantum Carnot and Otto cycles, showing that the Carnot cycle exhibits a universal, entropy-driven behavior with smooth phase boundaries, while the Otto cycle displays a much richer structure governed by the interplay between the energy spectrum and nonequilibrium population differences. In particular, we identify a crossover in both efficiency and coefficient of performance as a function of the interaction strength, which arises from the competition between the interaction energy scale and the magnetic field. We further demonstrate that the skew angle induces state hybridization, modifying both the energy levels and occupation probabilities. Our results highlight that interactions and anisotropy, when properly tuned, can enhance thermodynamic performance, and emphasize the importance of multi-level effects in the design of quantum thermal machines.

2606.11157 2026-06-10 hep-ph astro-ph.CO physics.comp-ph 新提交

DarkAgents

DarkAgents:利用大语言模型和确定性测试代码构建理论天体粒子物理研究的协同管道

Michele Lucente, Silvia Pascoli, Filippo Sala, Matteo Zandi

AI总结 DarkAgents利用大语言模型和确定性测试代码构建理论天体粒子物理研究的协同管道,解决模型构建、复杂计算和假设审计等挑战,提供参数拟合、约束条件及假设审计报告。

Comments 12 pages, 2 figures, code at https://github.com/PhysicsZandi/DarkAgents

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AI中文摘要

我们提出了DarkAgents:一个利用大语言模型的推理和代码生成能力,结合确定性测试的人写代码,构建理论天体粒子物理研究协同管道的多代理系统。虽然相关方法已在碰撞物理和宇宙学中提出,但DarkAgents针对该领域特定挑战,如模型构建、复杂管道计算、多个约束和假设审计。框架可由不同代理命令行工具驱动,包括Mistral、Anthropic、OpenAI及本地LLM通过Ollama。首次实现中,我们应用DarkAgents研究宇宙学一阶相变,从经典标度不变粒子物理模型开始,最终拟合NANOGrav纳赫兹引力波谱。DarkAgent-PT输出包括i)最佳拟合模型参数值,ii)现有实验和观测约束,iii)进入i)和ii)的假设和先验的审计报告,尤其适用于天体粒子物理。我们的测试运行识别出文献中某些拟合的不一致,并生成基于耗散体积流GW模板的新拟合。代码在https URL公开。

英文摘要

We present DarkAgents: a multi-agent system that leverages the reasoning and code-generation capabilities of large language models (LLMs), together with deterministic tested human-written code, to build orchestrated pipelines for theoretical astroparticle physics research. While related approaches have been proposed in collider physics and cosmology, DarkAgents targets the specific challenges of this domain, such as model building, complex pipeline computations, multiple constraints and assumption auditing. The framework can be powered by different agentic command-line tools, including Mistral's, Anthropic's, OpenAI's and local LLMs via Ollama. As first implementation, we apply DarkAgents to the study of cosmological first order transitions, starting from a classically scale-invariant particle-physics model and ending with the fit to the NANOGrav nanohertz gravitational-waves spectrum. DarkAgent-PT provides as output i) the best-fit values of model parameters, ii) their existing experimental and observational constraints, iii) an audit report of the assumptions and priors entering both i) and ii), of particular relevance for astroparticle physics. Our test runs identify inconsistencies in some fits in the literature and produce novel ones based on the dissipative bulk-flow GW template. The code is publicly available at https://github.com/PhysicsZandi/DarkAgents.

2606.11062 2026-06-10 gr-qc astro-ph.CO hep-ph hep-th 新提交

A Friendly Phantom: Late-time AdS-to-dS transition and cosmological tensions

一个友好的幻影:晚期 AdS 到 dS 转变与宇宙学张力

Özgür Akarsu, Leandros Perivolaropoulos, A. Emrah Yükselci, Alexander Zhuk

AI总结 提出 Ph-Λ_sCDM 模型,通过幻影标量场在双曲正切势上演化,实现暗能量密度的平滑镜像 AdS 到 dS 转变,避免大撕裂奇点,有望缓解多种宇宙学张力。

Comments 16 pages, 3 figures. Honorable Mention, 2026 Gravity Research Foundation Awards for Essays on Gravitation. Invited for submission to Int. J. Mod. Phys. D. GRF essay developing the friendly-phantom interpretation of Ph-Lambda_sCDM; related full technical article: arXiv:2502.14667

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AI中文摘要

我们提出 Ph-$\Lambda_{\rm s}$CDM,这是广义相对论中符号切换宇宙学常数思想 $\Lambda_{\rm s}$CDM 的一个幻影-标量实现,其中在有界双曲正切势上演化的幻影标量在晚期暗能量密度中诱导平滑的镜像 AdS 到 dS 转变。通常被视为病态的负动能项成为将场从负能量真空态提升到正能量真空态机制的机制。该构造还表明,场可以变得排斥而其能量密度仍为负。然而宇宙学仍然可控:总能量保持为正,晚期吸引子是 de Sitter 而非大撕裂,动力学保持在安全的红外区域。因此,Ph-$\Lambda_{\rm s}$CDM 提供了一个具体的晚期机制,有可能解决多种宇宙学张力。

英文摘要

We present Ph-$Λ_{\rm s}$CDM, a phantom-scalar realization within General Relativity of the sign-switching cosmological-constant idea, $Λ_{\rm s}$CDM, in which a phantom scalar evolving on a bounded hyperbolic-tangent potential induces a smooth mirror AdS-to-dS transition in the late-time dark-energy density. The wrong-sign kinetic term, usually viewed as pathological, becomes the mechanism lifting the field from a negative- to a positive-energy vacuum-like regime. The construction also shows that the field can become repulsive while its energy density is still negative. The cosmology nevertheless remains controlled: total energy stays positive, the late-time attractor is de Sitter rather than a Big Rip, and the dynamics remain safely infrared. Ph-$Λ_{\rm s}$CDM thus offers a concrete late-time mechanism with the potential to address multiple cosmological tensions.

2606.11059 2026-06-10 cond-mat.mtrl-sci astro-ph.IM 新提交

In-situ total scattering investigation of crystalline ordering in amorphous ion-beam sputtered thin films for interferometric gravitational wave detectors

用于干涉引力波探测器的非晶离子束溅射薄膜中结晶有序性的原位总散射研究

Alberto Martinelli, Giulio Favaro, Giacomo Ciani, Livia Conti, Jean-Pierre Zendri, David Hofman, Massimo Granata, Angela Trapananti, Flavio Travasso, Laura Silenzi, Valeria Milotti, Marco Bazzan

AI总结 通过同步辐射散射实验原位研究退火过程中非晶离子束溅射涂层的结构变化,结合X射线衍射和原子对分布函数分析揭示阳离子骨架快速形成与氧环境逐步重排的并行结晶机制。

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AI中文摘要

非晶氧化钽是一种重要的光学材料,用于许多高精度光学应用,包括引力波干涉测量。在本文中,我们通过同步辐射散射实验原位研究了退火处理过程中非晶离子束溅射涂层发生的结构变化。散射信号在Q空间的大范围内作为时间的函数进行测量。使用X射线衍射和Rietveld分析研究退火过程中的结晶化,而原子对分布函数分析则允许检查非晶到晶体转变过程中发生的结构变化。我们的发现表明,几种结构重排并行发生,即首先在阳离子亚结构中快速建立骨架结构,出现在相当广泛的范围内(高达100埃),随后是氧原子环境的逐步重排,逐渐增加结构的结晶度。

英文摘要

Amorphous tantala is an important optical material used in a number of high-precision optical applications, including gravitational wave interferometry. In this paper, we study in-situ the structural changes that occur in amorphous ion-beam sputtered coatings during an annealing treatment by means of a synchrotron radiation scattering experiment. The scattering signal is measured as a function of time on a large range of the Q-space. X-Ray diffraction and Rietveld analysis are used to study crystallization during the annealing treatment, whereas pair distribution function analysis allows to inspect the structural changes occurring during the amorphous to crystalline transition. Our findings indicate that several structural rearrangements occur in parallel, namely a first quick establishment of a backbone structure in the cationic substructure appearing on a rather extended range (up to 100 Angstrom), followed by a progressive rearrangement of the oxygen atoms environment which gradually increases the crystallinity of the structure.

2606.10283 2026-06-10 physics.plasm-ph astro-ph.SR 新提交

First Principles Magnetohydrodynamical Theory for the Expanding Box Model

膨胀盒模型的第一性原理磁流体动力学理论

Sebastián Saldivia, Nicolás Villarroel-Sepúlveda, Sebastián Echeverría-Veas, Felipe A. Asenjo, Pablo S. Moya

AI总结 针对膨胀盒模型中参考系变换的不一致性,采用协变方法重新推导,修正了磁场张量缩放,恢复了共动系对称性,并揭示了加速对阿尔芬波振幅的几何阻尼或能量源作用。

Comments 12 pages, 1 figure

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AI中文摘要

膨胀盒模型(EBM)通过将磁流体动力学(MHD)方程变换到共动非惯性系,被广泛用于模拟膨胀太阳风中的多尺度等离子体现象。然而,传统公式在共动参考系和惯性参考系之间的物理分离上存在历史模糊性,主要源于两者之间磁场不变性的经典近似。为解决这一不一致性,我们采用完全协变的方法从第一性原理重新推导EBM。这里,我们将膨胀太阳风框架建模为各向异性膨胀的时空度规,从而能够纳入径向加速度剖面和微分横向膨胀,确保所有物理场通过膨胀正确变换。我们证明,先前EBM-MHD文献中发现的数学伪影和结构不对称性是忽略磁场张量缩放的直接结果。我们的协变处理消除了这些残留,恢复了共动系中的对称性。将我们的系统投影回惯性系,恢复了已建立的观测缩放和类似物理,澄清了局部等离子体动力学与全局膨胀之间的数学区别,并揭示了帕克螺旋的宏观各向异性纯粹是几何投影。此外,线性波分析表明,宏观加速度控制着阿尔芬波振幅的演化,既可作为几何阻尼,也可作为能量源。进一步,我们使用可压缩Elsässer变量写出EBM-MHD系统。该公式为未来加速天体物理等离子体的数值模拟提供了一致且清晰的基础。

英文摘要

The Expanding Box Model (EBM) has been widely employed to simulate multiscale plasma phenomena in the expanding solar wind by transforming the MHD equations to a co-moving, non-inertial frame. However, traditional formulations have suffered from historical ambiguity regarding the physical separation between the co-moving and inertial reference frames, primarily arising from a classical approximation of an invariant magnetic field between them. To resolve this inconsistency, we reformulate the EBM from first principles using a fully covariant approach. Here, we model the expanding solar wind frame as an anisotropic expanding spacetime metric, allowing us to incorporate radial acceleration profiles and differential transverse expansion, ensuring that all physical fields are correctly transformed by expansion. We demonstrate that the mathematical artifacts and structural asymmetries identified in previous EBM-MHD literature are direct consequences of neglecting the tensorial scaling of the magnetic field. Our covariant treatment eliminates these residues, restoring symmetry in the co-moving frame. Projecting our system back into the inertial frame recovers the established observational scaling and analogous physics, clarifies the mathematical distinction between local plasma dynamics and global expansion, and reveals the macroscopic anisotropy of the Parker spiral as a purely geometric projection. Furthermore, linear wave analysis demonstrates that macroscopic acceleration governs the evolution of Alfvén wave amplitude, acting either as geometric damping or as an energy source. Further, we write the EBM-MHD system using compressible Elsässer variables. This formulation provides a consistent and clean foundation for future numerical simulations of accelerating astrophysical plasmas.

2606.10104 2026-06-10 gr-qc astro-ph.HE 新提交

The Fifth RIT Catalog of Binary Black Hole Simulations: Multiple-Resolution Studies of Eccentric Orbits

第五版RIT双黑洞模拟目录:偏心轨道的多分辨率研究

Giuseppe Ficarra, James Healy, Carlos O. Lousto

AI总结 发布第五版RIT数值相对论双黑洞波形目录,新增248个配置(197个偏心轨道),通过多分辨率收敛研究评估波形精度,分析关键物理量的收敛性。

Comments 26 pages, 2 figures, 19 tables

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AI中文摘要

第五版RIT公开数值相对论双黑洞波形目录(http://ccrg.rit.edu/~RITCatalog)新增248个配置,优先考虑197个新模拟的偏心轨道。此次更新使目录总数达到2129个案例。所有波形均经过质心漂移校正并外推到未来零无穷远。为了严格估计波形误差,我们对10个偏心模拟(最多33圈至合并)使用三种全局分辨率(以1.2倍递增)进行了多分辨率收敛研究,并对一个18圈配置进行了全面的六分辨率研究。通过计算与理论无限分辨率外推的失配度来评估波形精度。此外,我们分析了关键物理观测量的收敛性质:合并时间、轨道圈数、最终质量、最终自旋、反冲速度以及引力辐射的峰值振幅、频率和光度。

英文摘要

This fifth release of the RIT public catalog of numerical relativity binary black hole waveforms http://ccrg.rit.edu/~RITCatalog introduces an additional 248 configurations, prioritizing 197 newly simulated eccentric orbits. This update brings the catalog to a total of 2129 cases. All waveforms are corrected for center-of-mass drift and extrapolated to future null infinity. To rigorously estimate waveform errors, we conduct multiple-resolution convergence studies on 10 eccentric simulations (up to 33 orbits to merger) using three global resolutions increasing by factors of 1.2, plus a comprehensive six-resolution study for a single 18-orbit configuration. We evaluate waveform accuracy by computing mismatches against theoretical infinite-resolution extrapolations. Additionally, we analyze the convergence properties of key physical observables: merger times, number of orbits, final masses, final spins, recoil velocities, and the peak amplitude, frequency, and luminosity of the gravitational radiation.

2606.10090 2026-06-10 nucl-th astro-ph.SR nucl-ex 新提交

Thermodynamic versus Dynamical Description of the Neutron-Star Crust-Core Instability: Implications for Crustal Observables

中子星壳-核不稳定性的热力学与动力学描述:对壳层可观测量的影响

Athul Kunjipurayil, J. Piekarewicz

AI总结 通过热力学和动力学方法研究中子星壳-核转变,发现动力学方法预测更低的转变密度和压力,导致更薄的壳层和更小的转动惯量壳层份额,影响脉冲星自转突变等观测。

Comments 11 pages, 5 figures

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AI中文摘要

我们使用热力学和动力学描述的不稳定性研究中子星的壳-核转变。在热力学方法中,转变通过广义不可压缩系数的消失来识别,标志着体自旋odal不稳定性的开始。相比之下,基于相对论随机相位近似(RPA)的动力学方法包含了库仑屏蔽和有限尺寸效应,这些效应决定了有限波长下的不稳定性。使用覆盖宽范围对称能斜率的一组协变能量密度泛函,我们表明动力学处理系统性地预测出比热力学方法更低的转变密度和压力。我们进一步证明,RPA不稳定性在由体、库仑和表面效应之间的竞争设定的特征长度尺度上发展。最重要的是,我们表明这些差异直接传播到中子星可观测量中。由于热力学方法预测更大的转变压力,它产生更厚的壳层和比动力学-RPA框架显著更大的恒星转动惯量的壳层份额——这对脉冲星自转突变和其他壳层敏感的中子星观测量的解释具有重要意义。

英文摘要

We investigate the crust-core transition in neutron stars using both thermodynamic and dynamical descriptions of the instability. In the thermodynamic approach, the transition is identified through the vanishing of a generalized incompressibility coefficient signaling the onset of a bulk spinodal instability. In contrast, the dynamical approach based on the relativistic random-phase approximation (RPA) incorporates Coulomb screening and finite-size effects that determine the instability at finite wavelength. Using a family of covariant energy density functionals spanning a broad range of symmetry-energy slopes, we show that the dynamical treatment systematically predicts lower transition densities and pressures compared to the thermodynamic approach. We further demonstrate that the RPA instability develops at a characteristic length scale set by the competition among bulk, Coulomb, and surface effects. Most importantly, we show that these differences propagate directly into neutron-star observables. Because the thermodynamic approach predicts larger transition pressures, it generates thicker crusts and significantly larger crustal fractions of the stellar moment of inertia than the dynamical-RPA framework -- with important implications for the interpretation of pulsar glitches and other crust-sensitive neutron-star observables.

2606.10055 2026-06-10 quant-ph astro-ph.CO hep-ph hep-th 新提交

Identical Bosons, large occupation numbers and classical field description

全同玻色子、大占据数与经典场描述

Gaurav Goswami

AI总结 本文通过2σ_φ < |⟨φ⟩|判据检验大占据数下经典场描述的适用性,发现状态接近大占据相干态而非大占据数本身是经典描述有效的关键,并讨论了超轻暗物质的启示。

Comments 9 pages, 3 figures

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AI中文摘要

对于具有大量全同玻色子的系统,通常在没有额外理由的情况下声称,当单粒子态的平均占据数足够大时,经典场描述将适用。例如,对于超轻暗物质,使用经典场方程计算其动力学。在这项工作中,我们基于经典场行为的判据$2 \sigma_\varphi < |\langle \varphi \rangle|$,并将其应用于任意量子态,检验了这一假设的有效性和稳健性。我们发现,具有大占据数的任意态并不表现为经典行为,而对态向量施加一些限制可以改善经典行为。由于相干态已知具有准经典行为,我们还询问偏离相干态多大程度会破坏经典行为。基于这一分析,我们发现,确保经典描述有效性的不是大占据数本身,而是状态接近大占据相干态。讨论了这对超轻暗物质的启示。

英文摘要

For a system with a large number of identical Bosons, it is common to claim, often without any additional justifications, that, when the mean occupation number in a single particle state is sufficiently large, classical field description will be applicable. This is why e.g. for ultra-light dark matter, the classical field equations are used to compute its dynamics. In this work, we test the validity and robustness of this assumption based on the criterion $2 σ_φ< |\langle φ\rangle| $ for classical field behaviour and applying it to aribtrary quantum states. We find that an arbitrary state with large occupation number doesn't behave classically while imposing some restrictions on the state vectors can improve the classical behavior. Since coherent states are known to have quasi-classical behaviour, we also ask how much deviation from coherent state can spoil the classical behaviour. Based on this analysis, we find that it is the proximity of the state to a large occupation coherent state rather than large occupation number itself which ensures validity of classical description. Implications of this for ultra light dark matter are discussed.

2606.09998 2026-06-10 hep-ph astro-ph.HE 新提交

Constraints and Projections for Millicharged Dark Matter in the Sun with Water Cherenkov Neutrino Detectors

太阳中微子电荷暗物质在水切伦科夫中微子探测器中的约束与展望

Thong T. Q. Nguyen

AI总结 研究利用水切伦科夫探测器(Super-Kamiokande和Hyper-Kamiokande)搜索太阳中捕获的微电荷暗物质湮灭产生的中微子,在轻质量区域(5-28 GeV)补充IceCube的约束,并将暗物质丰度下限压低至约5×10⁻⁶。

Comments 9 pages, 3 figures (8 subfigures)

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AI中文摘要

微电荷粒子是备受关注的暗物质候选者,已在陆地实验中被广泛研究。近期研究提出利用IceCube中微子天文台搜索太阳中微电荷暗物质俘获和湮灭产生的高能中微子,在强相互作用区域(微电荷$q_\chi \sim 10^{-3}$-$10^{-2}$)导出了新的约束,这些约束扩展到所有现有约束失去灵敏度的微小丰度区域。在这项工作中,我指出水切伦科夫探测器的较低能量阈值使得Super-Kamiokande和未来的Hyper-Kamiokande对来自较轻微电荷暗物质湮灭的中微子敏感,从而补充了IceCube的高质量覆盖范围。我发现Super-Kamiokande可以约束暗物质质量$m_{\chi}=5$-28 GeV、暗物质分数$f_{\chi}=10^{-4.5}$的先前未探索参数空间,而Hyper-Kamiokande可以改进这些约束,并对小至$f_{\chi}\simeq 5\times 10^{-6}$的丰度分数敏感,这比当前IceCube的极限低近一个数量级。

英文摘要

Millicharged particles are well-motivated dark matter candidates that have been extensively investigated in terrestrial experiments. Recent studies proposed using the IceCube Neutrino Observatory to search for high-energy neutrinos produced by the capture and annihilation of millicharged dark matter in the Sun, deriving new constraints in the strong interaction regime where the millicharge is $q_χ\sim 10^{-3}$-$10^{-2}$, which extend to small fractional abundances where all existing constraints lose sensitivity. In this work, I point out that the lower energy threshold of water Cherenkov detectors makes Super-Kamiokande and the future Hyper-Kamiokande sensitive to neutrinos from the annihilation of lighter millicharged dark matter, complementing the high-mass reach of IceCube. I find that Super-Kamiokande can constrain previously unexplored parameter space at $m_χ=5$-28 GeV for dark matter fraction of $f_χ=10^{-4.5}$, while Hyper-Kamiokande can improve these constraints and will be sensitive to fractional abundances as small as $f_χ\simeq 5\times 10^{-6}$, nearly an order of magnitude below current IceCube limits.

2606.09968 2026-06-10 hep-ph astro-ph.CO astro-ph.HE gr-qc 新提交

Radio Emission from High-Frequency Gravitational Wave Point Sources

高频引力波点源的射电辐射

Ethan Baker, Hongwan Liu

AI总结 利用逆Gertsenshtein效应,高频引力波可在磁场中转化为射电光子,现有射电望远镜如CHIME和FAST在探测原初黑洞合并等瞬态源方面显著优于传统实验。

Comments 8 pages, 3 figures

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AI中文摘要

兆赫兹到吉赫兹范围内的高频引力波(HFGWs)可以通过逆Gertsenshtein效应在天体物理磁场中转化为射电光子。我们表明,现有的射电望远镜如CHIME和FAST是探测HFGW源的优秀工具,在探测原初黑洞(PBH)合并(最现实的瞬态HFGW源)方面显著优于许多现有实验。射电望远镜还对单色HFGW发射源(例如通过超辐射在PBH周围形成的超轻玻色子云)具有独特的敏感性,并且可能对可探测HFGW的通用源具有出色的灵敏度。

英文摘要

High-frequency gravitational waves (HFGWs) in the MHz to GHz regime can convert into radio photons in the presence of astrophysical magnetic fields through the inverse Gertsenshtein effect. We show that existing radio telescopes like CHIME and FAST are excellent tools for detecting HFGW sources, significantly outperforming many existing experiments at detecting primordial black hole (PBH) mergers, the most realistic sources of transient HFGWs. Radio telescopes are also uniquely sensitive to sources of monochromatic HFGW emission, such as ultralight boson clouds formed through superradiance around PBHs, and are likely to have excellent sensitivity to generic sources of detectable HFGWs.

2606.09945 2026-06-10 gr-qc astro-ph.CO hep-ph 新提交

Geometric Matching of Local Static Regions in Cosmological Spacetimes with an Evolving Lapse

宇宙学时空中具有演化时移的局部静态区域的几何匹配

Seokcheon Lee

AI总结 通过Israel连接条件将静态Schwarzschild内部嵌入演化GCT-FLRW外部,推导出几何一致性条件,证明局部静态区域可与演化时移宇宙学背景兼容。

Comments 17 pages, 1 figure, Final version accepted for publication in the Classical and Quantum Gravity

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Journal ref
Class. Quantum Grav. 43 (2026) 105017
AI中文摘要

广义宇宙学时间(GCT)框架引入修正的时移函数 N(t)\propto a^{b/4},作为标准FLRW描述的几何扩展。与其他偏离$\Lambda$CDM的构造类似,此类构造必须与观测到的局部引力和实验室物理稳定性兼容。在标量-张量理论中,这种兼容性通常通过动力学屏蔽机制实现,该机制在稠密环境中抑制额外自由度。本文研究局部静态时空区域能否一致地嵌入由时间依赖时移描述的宇宙学背景中。通过将静态Schwarzschild内部嵌入膨胀的GCT-FLRW外部,利用Israel连接条件确定允许此类匹配(无薄壳)的背景膨胀类别。外曲率的连续性导出一个Friedmann型关系,该关系与GCT背景运动方程一致。该关系不应解释为新的动力学方程,而是与两个时空区域匹配相关的几何一致性条件(GCC)。在此意义上,连接不引入新动力学,而是提供一种GCC,使得具有固定本地时钟的区域可嵌入具有演化时移的宇宙学时空中。因此,该分析阐明了局部静态引力系统如何与不同于本地原时归一化的宇宙学时间归一化保持兼容,同时保留局部物理的标准描述。

英文摘要

The generalized cosmological time (GCT) framework introduces a modified lapse function, N(t)\propto a^{b/4}, as a geometric extension of the standard FLRW description. Like other departures from $Λ$CDM, such constructions must remain compatible with the observed stability of local gravitational and laboratory physics. In scalar--tensor theories, this compatibility is usually achieved through dynamical screening mechanisms that suppress additional degrees of freedom in dense environments. In this work, we examine whether a locally static spacetime region can be consistently embedded within a cosmological background described by a time-dependent lapse. By embedding a static Schwarzschild interior into an expanding GCT--FLRW exterior, the Israel junction conditions are used to determine the class of background expansions that admit such a matching in the absence of a thin shell. The continuity of the extrinsic curvature yields a Friedmann-type relation that coincides with the GCT background equations of motion. This relation should be interpreted not as a new dynamical equation, but as a geometric consistency condition (GCC) associated with the matching of the two spacetime regions. In this sense, the junction does not introduce new dynamics, but provides a GCC under which a region with fixed local clocks can be embedded in a cosmological spacetime with an evolving lapse. Therefore, the analysis clarifies how locally static gravitational systems can remain compatible with a cosmological time normalization that differs from that of local proper time while preserving the standard description of local physics.

2606.11165 2026-06-10 astro-ph.GA astro-ph.SR 新提交

Reassessing the low-$α$ massive sequence stars in Gaia RVS

重新评估 Gaia RVS 中的低 α 丰度大质量序列恒星

G. Nandakumar, G. Kordopatis, M. Schultheis, N. Ryde, P. A. Palicio, E. Spitoni, F. Matteucci

AI总结 通过交叉匹配 Gaia DR3 与 APOGEE、GALAH 等巡天数据,发现 Gaia RVS 的大质量恒星 α 丰度存在系统偏差,外部巡天未显示低 α 序列,建议谨慎使用 Gaia RVS 的 α 丰度。

Comments 20 pages, 21 figures, Accepted for publication in Astronomy & Astrophysics journal

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AI中文摘要

最近,利用 Gaia DR3 的光谱星表识别出了一类化学元素贫乏的年轻大质量恒星群。为解释其特征,人们提出了最近 2 Gyr 内通过第三次内落事件引发的增强恒星形成事件。本文重新评估了 Gaia 光谱星表中识别出的大质量恒星的低 α 序列,并调查了它们在其它银河系光谱巡天星表中的存在情况。我们采用先前化学制图研究中相同的过滤策略,从 Gaia DR3 星表中选取大质量序列恒星和红巨星分支(RGB)恒星。将这些样本与 APOGEE DR17、GALAH DR4 和 Gaia CNN 进行交叉匹配,以便详细比较恒星参数和 α 元素丰度。通过将恒星大气参数和红外星等投影到 PARSEC 等时线上来估计恒星质量。对于大质量恒星样本,我们发现 Gaia DR3 与三个外部巡天在恒星参数和钙丰度上存在较大差异。外部星表并未显示低钙序列,反而与薄盘 RGB 恒星相似。其他 α 元素(APOGEE 和 GALAH 中的硅,以及 GALAH 中的镁)也未显示贫化值。然而,在 APOGEE 中,金属丰度高于 -0.5 dex 的大质量序列恒星显示出较低的镁丰度。我们将此归因于 APOGEE 使用了仅基于金属丰度校准的宏观湍流速度。我们的分析未显示大质量序列恒星存在 α 元素贫化的证据。因此,应谨慎使用从 Gaia RVS 光谱推导出的大质量序列恒星的 α 丰度。尽管如此,先前提出的三次内落化学演化模型仍然是合理的:即使没有化学元素贫化的年轻大质量星族,仅涉及轻微稀释的情景仍可解释最近的恒星形成事件。

英文摘要

Recently, a chemically depleted young massive stellar population was identified using the spectroscopic catalogue of Gaia DR3. To explain its characteristics, a recent enhanced star formation event, via a third infall occurring within the last 2 Gyr, has been evoked. In this paper we reassess the low alpha sequence of massive stars identified in the Gaia spectroscopic catalog and investigate their presence in other Milky Way spectroscopic survey catalogs. We select massive sequence stars and RGB stars from the Gaia DR3 catalogue using the same filtering strategy adopted in previous chemical cartography studies. These samples are then cross matched with APOGEE DR17, GALAH DR4, and Gaia CNN to enable a detailed comparison of stellar parameters and alpha abundances. Stellar masses are estimated by projecting their atmospheric parameters and infrared magnitudes onto PARSEC isochrones. For the massive star sample, we find large discrepancies in stellar parameters and calcium abundances between Gaia DR3 and the three external surveys. The external catalogues do not show a low ca sequence but rather resemble those of thin disc RGB stars. Other alpha elements (si in APOGEE and GALAH, and mg in GALAH) also do not show depleted values. In APOGEE, however, massive sequence stars with metallicities above -0.5 dex display lower mg abundances. We attribute this to APOGEE's use of macroturbulence velocities calibrated solely on metallicity. Our analysis does not show any evidence for alpha element depletion in massive sequence stars. Alpha abundances of massive sequence stars derived from the Gaia RVS spectra should therefore be used with caution. Nevertheless, the previously proposed three infall chemical evolution models remain plausible: even without a chemically depleted young massive population, scenarios involving only mild dilution could still account for recent star formation episodes.