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2606.10529 2026-06-10 quant-ph cond-mat.quant-gas 新提交

Precision measurements at the interface between unitary and non-unitary encoding

幺正与非幺正编码界面上的精密测量

Peng Xu

AI总结 研究广义噪声下幺正与非幺正编码界面的精度标度,推导出幺正参数和耗散强度的解析精度表达式,发现纠缠可增强非幺正估计,为噪声环境下的量子计量提供统一框架。

Comments 11 pages, 10 figures

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AI中文摘要

我们研究了在包括单粒子和集体退相及衰减的广义噪声下,幺正与非幺正编码界面上的精度标度。利用线性响应理论和误差传播公式,我们推导了幺正参数 $\Omega$ 和耗散强度 $\gamma$ 的解析精度表达式。对于幺正编码,当可观测量与厄米噪声算符对易时,最优编码时间与 $N$ 无关,达到海森堡极限 $\Delta \Omega \propto 1 / N$;否则精度退化为标准量子极限或不再随 $N$ 改善。对于非幺正编码,当 $[\hat{A}, \hat{O}] = 0$ 时,精度对内在动力学和编码时间不敏感,标度为 $\Delta \gamma \propto \sqrt{\gamma / \expval*{\hat{L}^\dagger \hat{L}}}$。值得注意的是,对于集体衰减,Dicke 态达到海森堡极限 $\Delta \gamma \propto 1 / N$,表明纠缠可以增强非幺正估计。我们的结果为在噪声环境中设计量子计量协议提供了统一框架和实用指导。

英文摘要

We investigate precision scaling at the interface between unitary and non-unitary encoding under generalized noise including single-particle and collective dephasing and decay. Using linear response theory and the error propagation formula, we derive analytic precision expressions for both the unitary parameter $Ω$ and the dissipation strength $γ$. For unitary encoding, when the observable commutes with a Hermitian noise operator, the optimal encoding time is independent of $N$, yielding the Heisenberg limit $ΔΩ\propto 1 / N$; otherwise the precision degrades to the standard quantum limit or ceases to improve with $N$. For non-unitary encoding, when $[\hat{A}, \hat{O}] = 0$, the precision is insensitive to intrinsic dynamics and encoding time, scaling as $Δγ\propto \sqrt{γ/ \expval*{\hat{L}^\dagger \hat{L}}}$. Notably, for collective decay, the Dicke state reaches the Heisenberg limit $Δγ\propto 1 / N$, demonstrating that entanglement can enhance non-unitary estimation. Our results provide a unified framework and practical guidance for designing quantum metrology protocols in noisy environments.

2606.10291 2026-06-10 physics.optics cond-mat.other 新提交

Unidirectional-like Edge Transport Induced by Non-Hermitian Skin Effects

非厄米趋肤效应诱导的单向类边缘输运

Junyi Rao, Jinting Ding, Qinghua Guo, Jun He, Xiang Ni

AI总结 通过均匀损耗激活非厄米趋肤效应,在光子晶体中实现单向类边缘输运,实验与理论吻合。

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AI中文摘要

非厄米趋肤效应(NHSEs)能够实现波的强烈边界积累,然而其实验实现通常需要工程化的非互易性或空间图案化损耗。这里我们从理论和实验上证明,均匀损耗提供了一种简单且先前被忽视的机制,用于在光子晶体(PhCs)中强制执行单向类边缘输运,该机制在存在非手性边缘态时打破了时间反演对称性。利用一种芯包层几何结构,其中域共享相同的陈数但具有不同的体极化,我们展示了均匀损耗激活了NHSEs,重塑了边缘带的谱拓扑,产生了决定单向传播的点间隙缠绕。近场测量证实,损耗将本质上的双向界面态转换为围绕整个畴壁的单向类循环,与理论高度一致。我们的结果确立了均匀损耗作为实现单向类波输运的通用且结构简单的途径。

英文摘要

Non-Hermitian skin effects (NHSEs) enable dramatic boundary accumulation of waves, yet their experimental realization typically demands engineered nonreciprocity or spatially patterned loss. Here we demonstrate theoretically and experimentally that uniform loss provides a simple and previously overlooked mechanism for enforcing unidirectional-like edge transport in photonic crystals (PhCs) that breaks time-reversal symmetry in the presence of nonchiral edge states. Using a core cladding geometry where domains share identical Chern numbers but possess distinct bulk polarizations, we show that uniform loss activates NHSEs that reshape the spectral topology of edge bands, giving rise to point gap windings that dictate a one way propagation. Near field measurements confirm that loss converts intrinsically bidirectional interface states into a unidirectional-like circulation around the entire domain wall, showing excellent agreement with theory. Our results establish uniform loss as a universal and structurally simple route for achieving unidirectional-like wave transport.

2606.10262 2026-06-10 physics.app-ph cond-mat.mtrl-sci 新提交

Filamentary Transport and Thermoelectric Effects in Mushroom Phase Change Memory Cells

蘑菇型相变存储单元中的丝状输运和热电效应

Md Samzid Bin Hafiz, Helena Silva, Ali Gokirmak

AI总结 通过二维有限元电热计算,研究Ge2Sb2Te5蘑菇型相变存储单元在Reset和Set操作中的热电效应和丝状电子输运,发现极性影响能耗和编程区域,编程体积不随接触尺寸缩放。

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AI中文摘要

我们对Ge$_2$Sb$_2$Te$_5$蘑菇型相变存储单元在Reset和Set操作中的热电效应和丝状电子输运进行了二维有限元电热计算研究,考虑了非晶Ge$_2$Sb$_2$Te$_5$中空间激活能变化和相变动力学。由于热电效应,电流从顶部电极流向窄的4 nm底部电极的Reset操作,与相反极性相比,实现相同Reset电阻所需的能量和功率约低3倍,电流约低2倍。非晶Ge$_2$Sb$_2$Te$_5$中的丝状导电、电击穿、热失控和局部结晶取决于电流极性和热边界条件,并决定了编程区域的位置、形状和体积,该区域可能显著小于半圆柱形蘑菇区域。编程体积不随大于10 nm的接触尺寸缩放。较大的接触面积由于丝状导电导致器件间和循环间变异性增加,但预期会带来更高的可靠性和耐久性。

英文摘要

We performed a 2D finite-element electrothermal computational study of thermoelectric effects and filamentary electronic transport in Ge$_2$Sb$_2$Te$_5$ mushroom phase change memory cells during Reset and Set operations, accounting for spatial activation energy variations in amorphous Ge$_2$Sb$_2$Te$_5$ and phase-change dynamics. Reset operations with current going from the top electrode to the narrow 4 nm bottom electrode require $\sim$3x less energy and power, and $\sim$2x lower current to achieve the same Reset resistance, compared to the opposite polarity, due to thermoelectric effects. Filamentary conduction, electrical breakdown, thermal runaway, and local crystallization of amorphous Ge$_2$Sb$_2$Te$_5$ depend on current polarity and thermal boundary conditions, and determine the location, shape, and volume of the programming region, which may be significantly smaller than the semi-cylindrical mushroom region. The programming volume does not scale with contact dimensions larger than 10 nm. Larger contact areas introduce increased device-to-device and cycle-to-cycle variability due to filamentary conduction but are expected to lead to higher reliability and endurance.

2606.10222 2026-06-10 q-bio.NC cond-mat.dis-nn q-bio.QM 新提交

Multifractal Signatures of Ageing and Dementia Development: A Multifractal Space-Filling Curve Analysis

衰老与痴呆发展的多重分形特征:一种多重分形空间填充曲线分析

Marta Lotka, Jacek Grela, Zbigniew Drogosz, Jeremi K. Ochab, Paweł Oświęcimka

AI总结 提出多重分形空间填充曲线分析(MFSCA)方法,用于量化多维数据的相关结构,并应用于阿尔茨海默病MRI数据,发现脑组织多重分形性随年龄和痴呆发展减弱,从多重分形向单分形转变。

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AI中文摘要

多重分形是量化复杂数据非线性、无标度特性的有效形式。在本研究中,我们提出了一种新颖且高效的方法,称为多重分形空间填充曲线分析(MFSCA),用于量化多维数据的相关结构。在该框架内,原始多维数据——在保留局部和长程组织特性的同时——通过分形空间填充曲线投影到一维表示上。然后使用多重分形算法分析得到的一维信号。我们通过人工生成的多重分形结构和真实数据展示了该方法的实用性。特别是,我们将MFSCA应用于分析不同痴呆阶段阿尔茨海默病患者的磁共振成像(MRI)数据。基于结果,我们估计了不同年龄健康受试者以及痴呆患者大脑的多重分形轮廓。分析表明,脑结构的空间组织(以多重分形程度衡量)随着年龄和痴呆的发展逐渐减弱。在对照组中,比较年轻对照组和老年对照组时,以及在年龄相似但处于不同疾病阶段(即早期痴呆和轻度认知障碍)的痴呆受试者中,均观察到从多重分形到单分形的转变。因此,从多尺度特性的角度来看,脑空间组织的异质性特征在恶化条件下退化,导致同质且弱相关的结构。这些发现不仅有效捕捉了脑组织的关键方面,而且表明MRI数据的多重分形性可作为脑结构变化的标志。

英文摘要

Multifractality is an effective formalism for quantifying the nonlinear, scale-free properties of complex data. In this study, we propose a novel and efficient methodology, termed Multifractal Space-filling Curve Analysis (MFSCA), for quantifying the correlation structure of multidimensional data. Within this framework, the original multidimensional data - while preserving both local and long-range organisational properties - are projected onto a one-dimensional representation using a fractal space-filling curve. The resulting one-dimensional signal is then analysed using multifractal algorithms. We demonstrate the utility of the method using both artificially generated multifractal structures and real data. In particular, we apply MFSCA to analyse magnetic resonance imaging (MRI) data from Alzheimer patients at different stages of dementia. Based on the results, we estimate the multifractal profiles of the brain for healthy subjects of different ages as well as for dementia patients. The analysis reveals that the spatial organization of brain structures, as measured by the degree of multifractality, progressively weakens with age and the development of dementia. A transition from multifractality to monofractality is observed both in control groups, when comparing the Young Control and Elderly Control groups, and among dementia subjects of similar age but at different stages of the disease, namely early dementia and mild cognitive impairment. Thus, from the perspective of multiscaling properties, the heterogeneous characteristics of spatial brain organization deteriorate under worsening conditions, leading to a homogeneous and weakly correlated structure. These findings not only effectively capture key aspects of brain organisation, but also demonstrate that the multifractality of MRI data can serve as a marker of structural brain changes.

2606.10128 2026-06-10 nucl-th cond-mat.quant-gas hep-lat 新提交

Determining universal spectra from probability distributions

从概率分布确定普适谱

Charles Kacir, Joseph Moscoso, Amy Nicholson, Thomas R. Richardson, Cade Rodgers

AI总结 利用数值格点计算和大同种粒子极限解析展开,从背景辅助场配置上的两粒子关联函数概率分布提取普适n体团簇谱,并给出初步结果与未来方向。

Comments Proceedings from the ECT* Workshop "Universality in strongly- interacting systems: from QCD to atoms", June 2025

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AI中文摘要

背景辅助场配置上计算的两粒子关联函数的概率分布,用于生成相互作用,已被证明能提供关于普适$n$体团簇谱的信息[1]。这里,我们采用两种方法——数值格点计算和大同种粒子极限下的解析展开——试图改进初始预测。展示了这些方向的探索性计算,并规划了未来研究。

英文摘要

The probability distribution of a two-particle correlation function computed over background auxiliary field configurations, used to generate the interactions, has been shown to inform about the spectra of universal $n$-body clusters [1]. Here, we utilize two approaches, a numerical lattice computation and an analytic expansion in the limit of large numbers of identical species, in an attempt to refine the initial predictions. Exploratory calculations in these directions are presented, and future investigations laid out.

2606.10032 2026-06-10 nlin.AO cond-mat.stat-mech nlin.CD 新提交

Collective drift and pinning in active rotator networks with Kuramoto coupling and mixed-sign feedback disorder

具有Kuramoto耦合和混合符号反馈无序的有源旋转子网络中的集体漂移与钉扎

Arpan Dey

AI总结 研究有源旋转子网络中,均匀固有驱动与零均值高斯反馈无序竞争导致的集体漂移与钉扎行为,通过数值相图揭示反馈无序与耦合强度的作用。

Comments 19 pages, 9 figures. Simulation code and data are available at Zenodo: https://doi.org/10.5281/zenodo.20591086

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AI中文摘要

有源旋转子模型提供了可激发和振荡系统的最小相位描述,长期以来被用于研究相互牵引、同步和集体转变。这里,我们研究了具有Kuramoto耦合的全连接有源旋转子网络,其中共同的固有驱动与来自零均值高斯分布的局部反馈振幅竞争。这产生了局部钉扎和集体相位对齐之间的竞争。利用平均绝对晚期漂移以及正负漂移振荡器的比例,我们在反馈-无序-耦合平面上构建了数值相图。在弱耦合下,增加反馈无序强度会抑制漂移,而更强的耦合可以在反馈无序不太强时恢复正的晚期漂移。我们使用无耦合和相干强耦合情况下的解析极限来解释这些区域。我们还研究了有限尺寸效应和零均值分布的固有频率。这些结果共同表明,即使固有驱动是均匀的,仅混合符号局部反馈就能重塑耦合有源旋转子网络中钉扎与漂移之间的平衡。

英文摘要

Active rotator models provide a minimal phase description of excitable and oscillatory systems, and have long been used to study mutual entrainment, synchronization, and collective transitions. Here, we investigate fully connected active rotator networks with Kuramoto coupling, where a common intrinsic drive competes with local feedback amplitudes drawn from a zero-mean Gaussian distribution. This produces a competition between local pinning and collective phase alignment. Using mean absolute late-time drift and the fractions of positive and negative drifting oscillators, we construct numerical regime maps in the feedback-disorder-coupling plane. At weak coupling, increasing the feedback disorder strength suppresses drift, while stronger coupling can restore positive late-time drift when feedback disorder is not too strong. We interpret these regimes using analytical limits for the uncoupled and coherent strong-coupling cases. We also examine finite-size effects and zero-mean distributed intrinsic frequencies. Together, these results show that mixed-sign local feedback alone can reshape the balance between pinning and drifting in coupled active rotator networks, even when the intrinsic drive is homogeneous.

2606.09988 2026-06-10 quant-ph cond-mat.dis-nn cond-mat.str-el physics.comp-ph 新提交

Absence of poor local minima in matrix product states

矩阵乘积态中不存在不良局部极小值

Hao-Kai Zhang, Chenghong Zhu, Shuo Liu, Shi-Xin Zhang, Tao Xiang

AI总结 本文证明矩阵乘积态的能量景观没有不良局部极小值,原因是其规范自由度导致有效局部过参数化,使局部极小值集中在全局最小值附近。

Comments 35 pages, 3+6 figures

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AI中文摘要

量子电路面临严重的可训练性问题:即使是浅层电路也会被不良局部极小值淹没。然而,可以通过顺序电路制备的矩阵乘积态(MPS)在实践中却非常可训练——正如数十年来成功的密度矩阵重正化群计算所证明的那样。在这项工作中,我们通过证明在砖墙电路存在不良局部极小值的相同设置下,MPS的能量景观没有不良局部极小值,从而解决了这一明显的悖论。关键见解是,MPS的规范自由度创造了一种有效的局部过参数化,导致局部极小值集中在全局最小值附近,类似于过参数化的经典神经网络。我们严格证明了MPS能量景观的局部极小值分布在正交中心移动下保持不变。数值实验进一步证实,即使对于随机哈密顿量,顺序电路的优化也会收敛到接近最优的解,这与砖墙电路形成鲜明对比。我们的发现强调了有效局部过参数化在决定可训练性中的关键作用,为克服变分量子算法的可训练性瓶颈提供了有价值的指导。

英文摘要

Quantum circuits suffer from severe trainability issues: even shallow circuits are swamped with poor local minima. Yet matrix product states (MPS), which can be prepared by sequential circuits, are remarkably trainable in practice -- as demonstrated by decades of successful density matrix renormalization group calculations. In this work, we resolve this apparent paradox by proving that the energy landscapes of MPS are free from poor local minima, under the same setting where brickwork circuits are not. The key insight is that the gauge freedom of MPS creates an effective local overparametrization that causes local minima to concentrate near the global minimum, analogous to overparametrized classical neural networks. We rigorously prove that the local minimum distribution of the MPS energy landscape is invariant under moves of the orthogonality center. Numerical experiments further confirm that the optimization of sequential circuits converges to near-optimal solutions even for random Hamiltonians, in stark contrast to brickwork circuits. Our findings highlight the pivotal role of effective local overparametrization in determining trainability, providing a valuable guide for overcoming the trainability bottleneck of variational quantum algorithms.

2606.09985 2026-06-10 hep-th cond-mat.stat-mech cond-mat.str-el 新提交

Bootstrap Cone of the Multicritical Deconfined Quantum Critical Point

多临界退禁闭量子临界点的自举锥

Zhijin Li, Tinhong Shen

AI总结 利用共形自举方法,通过自举锥与量子蒙特卡洛和模糊球数据的一致性,支持退禁闭量子临界点的多临界性场景。

Comments 16+13 pages, 6 figures

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AI中文摘要

退禁闭量子临界点(DQCP)提供了超越Landau-Ginzburg-Wilson范式的非传统相变的重要例子,其本质几十年来一直存在争议。DQCP已被广泛研究,结果导致了两种相反的场景:伪临界性或多临界性。伪临界性是DQCP的主流场景,它用复杂不动点附近的行走行为解释近似尺度不变的数值结果。相比之下,多临界性场景推测DQCP是一个具有相关$SO(5)$单态标量的幺正不动点。在这项工作中,我们使用共形自举为多临界性场景提供了实质性证据。我们从观察到大规模量子蒙特卡洛(QMC)结果几乎饱和自举界限开始。在施加适当的稀疏条件后,自举界限在三维参数空间中形成一个尖锐的锥体。自举锥接近QMC数据。我们使用导航算法定位锥体的顶点并提取极值解。我们发现自举解与DQCP的模糊球数据之间存在显著的一致性,包括算子乘积展开(OPE)中的系数和更高能谱!自举锥将QMC和模糊球数据统一为一个具有相关$SO(5)$单态标量的幺正共形场论,从而有力地支持了DQCP的多临界性场景。共形自举、QMC和模糊球结果之间的一致性是对解决DQCP和解读二维量子磁体深刻相图的惊喜。

英文摘要

The deconfined quantum critical point (DQCP) provides a prominent example of the unconventional phase transitions beyond the Landau-Ginzburg-Wilson paradigm and its nature has been controversial for decades. The DQCP has been extensively studied and the results lead to two opposite scenarios with pseudo-criticality or multicriticality. The pseudo-criticality is a prevailing scenario of DQCP which interprets the approximately scale invariant numerical results with the walking behavior near complex fixed points. In contrast, the multicriticality scenario conjectures the DQCP is a unitary fixed point with a relevant $SO(5)$ singlet scalar. In this work we provide substantial evidence for the multicriticality scenario using conformal bootstrap. We start with the observation that the large scale Quantum Monte Carlo (QMC) results nearly saturate the bootstrap bounds. After imposing suitable sparseness condition the bootstrap bound forms a sharp cone in the three-dimensional parameter space. The bootstrap cone is close to the QMC data. We use the navigator algorithm to locate the apex of the cone and extract the extremal solutions. We find striking consistencies between the bootstrap solutions and the fuzzy sphere data of DQCP, including the coefficients in the operator product expansions (OPEs) and the higher spectrum! The bootstrap cone unifies the QMC and the fuzzy sphere data into a unitary conformal field theory with a relevant $SO(5)$ singlet scalar, thus strongly supporting the multicriticality scenario of DQCP. The agreement between the conformal bootstrap, QMC and fuzzy sphere results is a surprise towards solving DQCP and decoding the profound phase diagram of the two-dimensional quantum magnets.

2606.09984 2026-06-10 hep-lat cond-mat.stat-mech hep-ph quant-ph 新提交

Tame the Umklapp Processes in Real-Time Lattice Simulation for Hydrodynamics: An Ising Field Theory Study

在实时格点模拟中驯服Umklapp过程以研究流体动力学:Ising场论研究

Xiaojun Yao

AI总结 通过格点哈密顿量模拟非可积Ising场论,发现Umklapp过程被抑制,长波长时间下出现相对论流体动力学声模,并提取了体粘滞系数与熵密度比及声速。

Comments 21 pages, 20 figures

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AI中文摘要

我们通过格点哈密顿量模拟计算了由三个稳定标量粒子组成的非可积Ising场论中应力-能量张量的实时对称关联函数。使用经典精确对角化和矩阵乘积态张量网络方法,我们发现格点理论的标度区域中,Umklapp过程被抑制,相对论流体动力学的声模在长波长和长时间下出现。在温度$T\approx 7.14$(以最低稳定粒子质量为单位)下,提取的体粘滞系数与熵密度比为$\zeta/s=14.19\pm 0.90$,声速为$c_s/c=0.76 \pm 0.02$。我们的研究展示了实时格点哈密顿量模拟在描述流体动力学化和非微扰计算输运系数方面的实用性。

英文摘要

We calculate the real-time symmetric correlation function of the stress-energy tensor for a non-integrable Ising field theory consisting of three stable scalar particles via lattice Hamiltonian simulation. Using classical exact diagonalization and the matrix product state tensor network methods, we find that in the scaling region of the lattice theory, Umklapp processes are suppressed and the sound modes of relativistic hydrodynamics emerge at long wavelength and late time. The extracted ratio of bulk viscosity to entropy density is $ζ/s=14.19\pm 0.90$ and the speed of sound is $c_s/c=0.76 \pm 0.02$ at the temperature $T\approx 7.14$ in units of the lowest stable particle's mass. Our study demonstrates the utility of real-time lattice Hamiltonian simulation for describing hydrodynamization and calculating transport coefficients nonperturbatively.

2606.11147 2026-06-10 cond-mat.mes-hall quant-ph 新提交

Quantum statistics in an extended collider coupled to a qubit

耦合到量子比特的扩展对撞机中的量子统计

Rishav Chaudhuri, Sai Satyam Samal

AI总结 研究扩展对撞机中后选择杂质态下费米子和玻色子波包的散射,指出只有特定基准能忠实捕获互统计,其他基准可能产生虚假统计特征。

Comments Main text: 6 pages and 2 figures, Appendix: 13 pages

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AI中文摘要

介观对撞机为探测量子粒子的互统计提供了一个有效平台。最近的实验已成功利用量子点接触(QPC)提取了费米子以及更奇异的任意子的互统计。将点状对撞机(如量子点接触)与两能级杂质或量子比特耦合可以诱导费米子的统计嬗变,使其表现出类似玻色子的聚束倾向。在这里,我们将分析扩展到扩展对撞机。我们研究了在杂质态后选择条件下两个入射费米子和玻色子波包的散射,并系统分析了用于表征聚束和推断潜在互统计的可能基准。我们表明,只有特定基准能忠实捕获碰撞粒子的互统计,而其他选择可能产生虚假的统计特征。因此,探测量子统计的正确基准取决于介观对撞机的复杂细节。

英文摘要

Mesoscopic colliders provide an effective platform for probing the mutual statistics of quantum particles. Recent experiments have successfully extracted the mutual statistics of fermions, and more exotic anyons using quantum point contacts (QPCs). Coupling a point-like collider, such as a quantum point contact, to a two-level impurity or qubit can induce statistical transmutation of fermions, causing them to display boson-like bunching tendencies. Here, we extend the analysis to an extended collider. We investigate the scattering of two incoming fermionic and bosonic wave packets in the presence of post-selection on the impurity state, and systematically analyze the possible benchmarks used to characterize bunching and infer the underlying mutual statistics. We show that only a specific benchmark faithfully captures the mutual statistics of the colliding particles, while alternative choices can produce spurious statistical signatures. Hence, the correct benchmark for probing the quantum statistics depends on the intricate details of the mesoscopic collider.

2606.11128 2026-06-10 cond-mat.mtrl-sci cond-mat.mes-hall 新提交

Roughness-robust surface altermagnetism in $PT$ antiferromagnets

$PT$反铁磁体中的粗糙度鲁棒表面交变磁性

K. D. Belashchenko

AI总结 研究在$PT$对称反铁磁体中,通过表面反称劳厄点群分析,发现粗糙度可产生补偿表面交变磁体,增强表面对称性或抑制自旋分裂,为自旋电子学提供新途径。

Comments 5 pages

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AI中文摘要

表面交变磁性通过表面和界面的对称性降低,将自旋分裂扩展到体交变磁体之外。现有的分类适用于原子级平坦表面台阶的局部对称性。本文讨论了在补偿粗糙表面上存活的宏观自旋-动量相关性的对称性。这些相关性由表面反称劳厄点群控制。在反称空间群包含反平移的磁体中,任何表面都禁止粗糙表面交变磁性,因此分类简化为$PT$对称反铁磁体。通过恢复所有保持表面法线不变的对称性,粗糙度可以从非补偿的平坦终端产生补偿表面交变磁体,增加表面对称性或抑制自旋分裂。将体可切换性与交变磁表面输运性质相结合,$PT$对称反铁磁体中的粗糙度鲁棒表面交变磁性为自旋电子学功能提供了一条途径。

英文摘要

Surface altermagnetism extends spin splitting beyond bulk altermagnets through symmetry reduction at surfaces and interfaces. An existing classification applies to the local symmetry of atomically flat surface terraces. The present paper addresses the symmetry of macroscopic spin-momentum correlations that survive averaging over compensated rough surfaces. These correlations are governed by the surface antisymmetry Laue point group. Rough-surface altermagnetism is forbidden at any surface of a magnet whose antisymmetry space group contains antitranslations, and the classification therefore reduces to $PT$-symmetric antiferromagnets. By restoring all symmetries leaving the surface normal invariant, roughness can generate compensated surface altermagnets from uncompensated flat terminations, increase the surface symmetry, or suppress spin splitting. By combining bulk switchability with altermagnetic surface transport properties, roughness-robust surface altermagnetism in $PT$-symmetric antiferromagnets provides a route toward spintronic functionality.

2606.11114 2026-06-10 cond-mat.mtrl-sci cond-mat.mes-hall 新提交

Flower-like WO3-modified Vulcan carbon GDEs for photoelectro-Fenton process: Efficient ciprofloxacin degradation and mechanistic insights

花状WO3修饰Vulcan碳气体扩散电极用于光电Fenton过程:高效降解环丙沙星及机理研究

João Paulo C. Moura, Vanessa S. Antonin, Caio Machado Fernandes, Aline B. Trench, Erica S. Conrado, Michell O. Almeida, Kathia M. Honorio, Renata Colombo, Rafael Sotana, Ana M. P. Neto, Mauro C. Santos

AI总结 本研究制备了花状WO3修饰Vulcan碳气体扩散电极,在光电Fenton过程中高效降解环丙沙星,通过协同效应提升H2O2生成和污染物矿化,并揭示了降解机理。

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AI中文摘要

使用3% WO3/C气体扩散电极(GDE)研究了电化学H2O2合成。该催化剂优于裸Vulcan碳,在50、75和100 mA cm-2电流密度下分别产生423、586和916 mg L-1的H2O2浓度,电流效率保持约70%。这一性能和较低能耗归因于WO3与碳的协同效应。在电Fenton(EF)应用中,WO3/C GDE在30分钟内实现了环丙沙星(CIP)约70%的快速初始降解,但随后因Fe2+再生缓慢而受限。引入紫外光的光电Fenton克服了这一限制,在90分钟内实现CIP完全去除,而硼掺杂金刚石(BDD)阳极将总有机碳(TOC)矿化率提升至66%。提出的降解机理通过羟基自由基攻击哌嗪环(伴随或不伴随脱氟)以及喹诺酮环氧化进行,理论分析证实转化产物的环境毒性降低。总体而言,WO3/C GDE代表了一种高效的H2O2生成和废水修复策略。

英文摘要

Electrochemical H2O2 synthesis was investigated using a 3 percent WO3 C gas diffusion electrode GDE. The catalyst outperformed bare Vulcan carbon, generating H2O2 concentrations of 423, 586, and 916 mg L at 50, 75, and 100 mA cm2, respectively, maintaining around 70 percent current efficiency. This performance and lower energy consumption are attributed to the WO3 carbon synergistic effect. In electro Fenton EF applications, the WO3 C GDE achieved rapid initial ciprofloxacin CIP degradation of around 70 percent in 30 min, though limited later by slow Fe2 regeneration. Incorporating UV light photoelectro Fenton overcame this constraint, yielding complete CIP removal within 90 min, while a boron doped diamond BDD anode enhanced total organic carbon TOC mineralization to 66 percent. The proposed degradation mechanism proceeds via hydroxyl radical attack on the piperazine ring with or without defluorination and quinolone ring oxidation, with theoretical analysis confirming reduced environmental toxicity of the transformation products. Overall, WO3 C GDEs represent a highly efficient strategy for H2O2 generation and wastewater remediation.

2606.11095 2026-06-10 cond-mat.str-el 新提交

Hybrid Hamiltonian-diagrammatic quantum impurity solver

混合哈密顿量-图解量子杂质求解器

Yang Yu, Gaurav Harsha, Lei Zhang, Agnieszka Jażdżewska, Dominika Zgid, Xinyang Dong, Emanuel Gull

AI总结 提出将哈密顿量方法与图解方法结合,通过添加少量辅助浴场降低残差问题复杂度,实现高精度、低成本的量子杂质求解。

Comments 7 pages, 5 figures

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AI中文摘要

量子杂质模型描述了相互作用轨道与非相互作用浴场之间的耦合,在强关联电子系统物理学中起着核心作用。求解量子杂质模型通常需要使用非微扰数值方法。基于哈密顿量的方法依赖于显式浴场离散化,通常局限于少量浴场位点或小纠缠,而图解方法则面临符号问题、收敛缓慢或图解截断近似等问题。这里我们展示了这两类方法可以结合:通过添加一个小型辅助浴场来增强图解方法,可以将残差问题降低到低阶微扰理论高度准确且快速收敛的区域。在一个简单基准测试中,混合方法的精度比粗线计算高出几个数量级;对于具有严重符号问题的强相互作用双轨道模型,以比竞争方法低三个数量级的计算成本实现收敛;在一个困难的实际问题中,收敛到未知精确结果的速度大大加快。我们的结果为关联量子系统中的高精度量子杂质解提供了一条实用途径。

英文摘要

Quantum impurity models, which describe the coupling between interacting orbitals and a non-interacting bath, play a central role in the physics of strongly correlated electron systems. Solving a quantum impurity model in general requires the use of non-perturbative numerical methods. Hamiltonian-based approaches, which rely on an explicit bath discretization, are typically limited to a small number of bath sites or small entanglement, and diagrammatic methods suffer from sign problems, slow convergence, or diagram truncation approximations. Here we show that these two classes of methods can be combined: augmenting diagrammatic methods with a small auxiliary bath can reduce the residual problem to a regime where low-order perturbation theory is highly accurate and rapidly converging. In a simple benchmark, the precision of the hybrid approach surpasses bold-line calculations by several orders of magnitude; for a strongly interacting two-orbital model with a severe sign problem, convergence is achieved at three orders of magnitude lower computational cost than competing methods; and convergence to the unknown exact result is rapidly accelerated in a difficult realistic problem. Our results establish a practical route to high-precision quantum impurity solutions in correlated quantum systems.

2606.11080 2026-06-10 cond-mat.soft physics.bio-ph 新提交

How to grow a straight filament

如何生长出一条直的细丝

Ludwig A. Hoffmann, L. Mahadevan

AI总结 通过线性稳定性分析和噪声模型,研究局部与非局部反馈机制如何稳定生长中的弹性细丝,确保其直向生长,并揭示形态发生的控制策略。

Comments 7 pages, 4 figures. 14 pages, 7 figures Supplementary Information

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AI中文摘要

一个生长的生物细丝如何在随机波动中保持笔直?受生物系统中可重复发育的丝状结构启发,我们研究了由反馈调节的噪声生长弹性细丝的稳定性。我们建立了一个最小模型,其中生长通过局部或非局部时空反馈定律响应细丝的应变、曲率和方向。线性稳定性分析确定了这些反馈机制稳定直线构型的条件。在存在噪声的情况下,我们表明纯局部反馈需要方向感知来抑制长波长不稳定性,而非局部反馈仅通过本体感知(曲率)就能实现稳定。与弹性基底的耦合进一步抑制了大尺度波动。我们的结果建立了确保稳健直向生长的最小控制策略,并提出了识别形态发生背后反馈机制的实验特征。

英文摘要

How can a growing biological filament remain straight despite stochastic fluctuations in growth? Motivated by filamentary structures that develop reproducibly across biological systems, we study the stability of a noisy, growing elastic filament regulated by feedback. We formulate a minimal model in which growth responds to the filament's strain, curvature, and orientation through local or nonlocal spatiotemporal feedback laws. Linear stability analysis identifies the conditions under which these feedback mechanisms stabilize a straight configuration. In the presence of noise, we show that purely local feedback requires orientation sensing to suppress long-wavelength instabilities, whereas nonlocal feedback allows stabilization through proprioceptive (curvature) sensing alone. Coupling to an elastic substrate further suppresses large-scale fluctuations. Our results establish minimal control strategies that ensure robust straight growth and suggest experimental signatures for identifying the feedback mechanisms underlying morphogenesis.

2606.11072 2026-06-10 cond-mat.mtrl-sci 新提交

Approaching the Limit of Intrinsic Crystalline Thermal Insulation

接近本征晶体热绝缘的极限

Ruihuan Cheng, Zhiqiang Cui, Mani Jayaraman, Lincong Ji, Chen Wang, Zesheng Zeng, Petr Levinsky, Jiri Hejtmanek, Christophe Candolfi, Emmanuel Guilmeau, Xingchen Shen, Yue Chen

AI总结 提出结合通用机器学习势与高保真声子传输理论的高通量工作流,发现数十种室温热导率低于0.2 W/m·K的晶体,其中CsTlI₄创下0.14 W/m·K的纪录,并通过层级键合框架解释了超低热导率机制。

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AI中文摘要

具有超低热导率($\kappa$)的晶体材料是潜在的热障涂层或热电材料,但由于试错法的局限性,超低$\kappa$材料的发现仍然效率低下。在此,我们提出了一种先进的高通量工作流,将通用机器学习原子间势与高保真声子传输理论相结合,以加速热绝缘体的探索。应用该方法,我们识别出数十种本征室温$\kappa$值低于0.2 $\rm W m^{-1} K^{-1}$的晶体材料。其中,我们报告并实验验证了CsTlI$_4$,这是一种在300 K下具有0.14 $\rm W m^{-1} K^{-1}$超低$\kappa$的破纪录材料。结构和键合分析表明,由多配位Cs-I和反键Tl-I相互作用组成的层级键合框架导致弱化学键和软晶格。这些特征降低了声子群速度,增强了声子散射,并引起子晶格之间的强振动失配,共同抑制了类粒子声子传播和类波隧穿。除了这个特定系统,我们基于原子间力常数建立了物理可解释的描述符,这些描述符与超低$\kappa$强相关,并捕捉了键合层级和配位环境在控制热传输中的作用。这项工作展示了一种稳健的数据驱动策略,用于加速热绝缘体的发现,并提供了关于层级键合和强非谐性如何协同阻碍载热振动的微观见解。

英文摘要

Crystalline materials with ultralow thermal conductivity ($κ$) are potential thermal barrier coatings or thermoelectrics, yet the discovery of ultralow-$κ$ materials remains inefficient due to the limitations of trial-and-error approaches. Herein, we propose a state-of-the-art high-throughput workflow that integrates universal machine learning interatomic potentials with high-fidelity phonon transport theories to accelerate the exploration of thermal insulators. Applying this approach, we identify dozens of crystalline materials with intrinsic room-temperature $κ$ values below 0.2 $\rm W m^{-1} K^{-1}$. Among them, we report and experimentally validate CsTlI$_4$, a record-breaking material with an ultralow $κ$ of 0.14 $\rm W m^{-1} K^{-1}$ at 300 K. Structural and bond analyses reveal that a hierarchical bonding framework, consisting of multi-coordinated Cs-I and antibonding Tl-I interactions, leads to weak chemical bonding and a soft lattice. These features reduce phonon group velocities, enhance phonon scattering, and induce strong vibrational mismatch between sublattices, collectively suppressing both particle-like phonon propagation and wave-like tunneling. Beyond this specific system, we establish physically interpretable descriptors based on interatomic force constants that correlate strongly with ultralow $κ$ and capture the role of bonding hierarchy and coordination environments in governing thermal transport. This work demonstrates a robust data-driven strategy for accelerating the discovery of thermal insulators and provides microscopic insight into how hierarchical bonding and strong anharmonicity cooperate to impede heat-carrying vibrations.

2606.11060 2026-06-10 cond-mat.mes-hall cond-mat.str-el quant-ph 新提交

Interplay between photon condensation and electron-electron interactions in molecular systems

分子系统中光子凝聚与电子-电子相互作用的相互作用

Matteo Parisi, Elisabetta Paladino, Giuseppe A. Falci, Gian Marcello Andolina, Salvatore Savasta, Marco Polini, Francesco M. D. Pellegrino

AI总结 研究方形平面晶格分子模型中,通过顺磁Van Vleck机制产生的光子凝聚,发现除半填充和单电子情况外,电子-电子相互作用可导致一级相变。

Comments 22 pages, 8 figures

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AI中文摘要

我们研究了一个最小分子模型,该模型由方形平面晶格组成,容纳多个电子,其动力学由紧束缚哈密顿量加上现场哈伯德排斥作用描述。通过将该系统与空间非均匀腔模耦合,我们分析了起源于顺磁Van Vleck机制的静磁不稳定性,即光子凝聚的出现。分析了不同电子填充因子下系统的全局行为,发现除了半填充和单电子的特殊情况(如果发生转变,则必然是二级相变)外,由于电子-电子相互作用的作用,全局系统也可能经历一级相变。分析了极化激元激发能量,提供了静磁不稳定性及其阶数的清晰光谱特征。

英文摘要

We investigate a minimal molecular model consisting of square planar plaquettes hosting multiple electrons, whose dynamics is governed by a tight-binding Hamiltonian supplemented by on-site Hubbard repulsion. By coupling this system to a spatially nonuniform cavity mode, we analyze the emergence of a magnetostatic instability, namely photon condensation, originating from the paramagnetic Van Vleck mechanism. The global behavior of the system is analyzed for different electronic filling factors, and we find that, except for the special cases of half-filling and single electron, where the transition, if it occurs, is necessarily a second order phase transition, the global system may also undergo a first order transition because of the action of the electron-electron interaction. The polaritonic excitation energies are analyzed, providing clear spectroscopic signatures of the magnetostatic instability and of its order.

2606.11056 2026-06-10 cond-mat.supr-con quant-ph 新提交

On pseudogap phase as precursor to a superconducting dome in high-Tc cuprates: Non-analytic T* as a function of doping

关于高温铜氧化物中超导穹顶前驱的赝能隙相:作为掺杂函数的非解析T*

Felix A. Buot

AI总结 本文推广了赝能隙相作为超导穹顶前驱的条件,揭示了T*作为掺杂函数的非解析行为,并基于纠缠与约束空穴配对机制解释了高温铜氧化物的相图。

Comments 8 pages 3 figures

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AI中文摘要

我们推广了量子材料中赝能隙相作为超导(SC)穹顶前驱的条件。结果揭示了T*作为掺杂函数的非解析性。一个著名的例子是高温铜氧化物。本质上,超导穹顶在两种条件下产生:(1)赝能隙T*是掺杂的递减函数,这是由于掺杂空穴的扩展配对尺寸随掺杂减小;(2)构型有序参数的速率是掺杂的递增函数,这是由于无序对的扩展长度减小。这两个条件由高温铜氧化物新的纠缠和约束配对机制提供。这是最近由Buot等人在文献中讨论的理论。它依赖于一种新颖的强纠缠和约束空穴配对(ECHP)机制,该机制揭示了电子和空穴掺杂高温铜氧化物整个相图的微观特征。

英文摘要

We generalize the condition under which a quantum material exhibiting a pseudogap phase is a precursor to a superconducting (SC) dome. The result reveals the non-analytic T* as a function of doping. A well-known example is the high-Tc cuprates. Essentially, the SC dome is generated under two conditions: (1) that the pseudogap T* is a decreasing function of doping, due to the decrease in size of extended pairing of doped holes with doping, and most importantly, (2) that the rate of configurational-ordering parameter is an increasing function of doping as a result of the decrease in extended length of the disordered pairs. These two conditions are provided by the new entanglement and confinement pairing mechanism of high-Tc cuprates. This is a theory that has recently been discussed in the literature by Buot et al. It hinges on a novel strong entanglement and confinement hole pairing (ECHP) mechanism that unravels the microscopic features of the entire phase diagram of both electron and hole-doped high-Tc cuprates.

2606.11041 2026-06-10 cond-mat.stat-mech cond-mat.soft 新提交

Extensible links in a broad class of single polymer chain models

单聚合物链模型大类中的可扩展链接

Michael R. Buche, Matthew J. Grasinger, Jason P. Mulderrig

AI总结 针对离散单链模型,提出一种通用的渐近理论来引入链接可扩展性,通过自由连接链和自由旋转链验证,实现从刚性参考计算恢复所有刚度的可扩展行为。

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AI中文摘要

聚合物链的物理性质通常通过分子拉伸实验和各种理想化的单链模型来探究。这些模型大多由离散的链接序列组成,这些链接可以被视为刚性或可扩展的。尽管这些模型已经建立,并且已经提出了许多具体的可扩展变体,但尚未提出普遍适用的理论。此外,大多数现有处理方法是启发式的,而非系统且严格推导的。本文通过开发一种通用的渐近理论来填补这一关键空白,该理论用于在单链热力学的广泛离散模型类别中引入链接可扩展性。该理论通过自由连接链进行了分析验证,并通过自由旋转链进行了数值验证。得到的近似在逆链接刚度上具有一阶精度,误差呈二次方递减,并且从单个刚性链接参考计算中恢复所有链接刚度下的可扩展行为。

英文摘要

The physics of polymer chains is often probed using molecular stretching experiments and various idealized single-chain models. The majority of these models consist of a discrete sequence of links, which may be treated as rigid or extensible. Although such models are well established and many specific extensible variants have been proposed, no generally applicable theory has been presented. Moreover, most existing treatments are heuristic rather than systematically and rigorously derived. This critical gap is closed here through the development of a generally applicable asymptotic theory for including link extensibility in a broad class of discrete models for single-chain thermodynamics. The theory is verified analytically using the freely jointed chain and validated numerically using the freely rotating chain. The resulting approximation is first-order accurate in inverse link stiffness, with quadratically decreasing error, and recovers extensible behavior across all link stiffnesses from a single rigid-link reference calculation.

2606.11038 2026-06-10 cond-mat.mtrl-sci physics.comp-ph 新提交

Synthetic pre-training of graph-network models for predicting solid-state NMR parameters

用于预测固态NMR参数的图网络模型的合成预训练

Chiheb Ben Mahmoud, Carlos Bornes, Christopher J. Heard, Lukáš Grajciar, Jonathan R. Yates, Volker L. Deringer

AI总结 提出一种合成预训练与微调协议,通过先对图网络模型进行合成张量数据预训练,再在真实数据上微调,显著提高数据效率,为固态NMR张量机器学习模型提供高效训练路径。

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AI中文摘要

核磁共振(NMR)是原子结构的有力探针,但对张量NMR参数的精确量子力学预测计算成本高昂。这为直接量子力学研究和为机器学习(ML)模型收集高质量训练数据都造成了瓶颈。本文介绍了一种用于固态NMR参数的图基ML模型的合成预训练与微调协议。我们首先在合成张量数据上预训练模型(这些数据通过现有ML模型获得),然后在新的真实数据上微调这些模型。我们观察到,当预训练和微调覆盖相同的组成和构型空间时,数据效率显著提升,并进行了关于化学可迁移性的初步实验。我们的工作为未来固态NMR张量ML模型的数据高效训练工作流程勾勒出一条路径,将廉价的合成监督与有针对性的第一性原理精炼相结合。

英文摘要

Nuclear magnetic resonance (NMR) is a powerful probe of atomic structure, but accurate quantum-mechanical predictions of tensorial NMR parameters are computationally demanding. This creates a bottleneck both for direct quantum-mechanical studies and for collecting high-quality training data for machine-learning (ML) models. Here, we introduce a synthetic pre-training and fine-tuning protocol for graph-based ML models of solid-state NMR parameters. We first pre-train models on synthetic tensorial data, as obtained using an existing ML model, and subsequently fine-tune those models on new ground-truth data. We observe a pronounced improvement in data efficiency when pre-training and fine-tuning span the same compositional and configurational space, and we carry out initial experiments regarding chemical transferability. Our work outlines a route toward future data-efficient training workflows for tensorial ML models for solid-state NMR, combining inexpensive synthetic supervision with targeted first-principles refinement.

2606.11031 2026-06-10 cond-mat.mtrl-sci physics.chem-ph physics.class-ph 新提交

Influence of CeO$_2$MnO$_x$ heterostructure on Hydrogen Peroxide Electrogeneration on Carbon-Based Catalysts

CeO$_2$MnO$_x$异质结构对碳基催化剂上过氧化氢电生成的影响

Caroline de O. Carrilho, Juliana M. S. de Jesus, João Paulo C. Moura, Dara Silva Santos, Aline B. Trench, Caio Machado Fernandes, Aila O. Santos, Odivaldo C. Alves, Júlio C. M. Silva, Mauro C. dos Santos

AI总结 研究通过合成CeO2和CeO2MnOx纳米颗粒负载于碳载体,评估低金属负载下高效电合成H2O2的性能,发现1% CeO2MnOx/C和3% CeO2/C催化剂实现高达90%的2e- ORR选择性。

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AI中文摘要

通过两电子氧还原反应(2e$^-$ ORR)可持续电生成过氧化氢(H2O2)是传统生产方法的一种有前景的替代方案。本研究合成了CeO2和CeO2MnOx纳米颗粒,并以不同负载量(1%、3%和5%)负载于Vulcan XC-72碳上,旨在评估最低金属负载量和高效H2O2电合成。物理化学表征证实了CeO2纳米线的成功形成以及MnOx表面改性的有效性。XRD、TEM、XPS、EPR和接触角分析表明,CeO2负载通过含氧官能团的存在增加了表面亲水性,从而有利于电化学活性。另一方面,所有CeO2MnOx负载量在接触角方面与Vulcan XC-72统计等效。使用旋转环盘电极(RRDE)的电化学评估显示,1% CeO2MnOx/C和3% CeO2/C催化剂具有增强的ORR活性和高H2O2选择性,实现了高达90%的选择性和升高的环电流。结果表明,低金属负载量和通过MnOx进行表面改性改善了活性位点暴露、氧吸附和中间体稳定化之间的平衡,从而有利于选择性2e$^-$途径。这些发现支持了通过电合成开发用于绿色H2O2生产的低成本非贵金属催化剂。

英文摘要

The sustainable electrogeneration of hydrogen peroxide (H2O2) via the two-electron oxygen reduction reaction (2e$^-$ ORR) represents a promising alternative to conventional production methods. In this study, CeO2 and CeO2MnOx nanoparticles were synthesized and supported on Vulcan XC-72 carbon at varying loadings (1, 3, and 5%), aiming to assess the lowest metal loading and high H2O2 electrosynthesis. Physicochemical characterizations confirmed the successful formation of CeO2 nanowires and the effectiveness of the MnOx surface modification. XRD, TEM, XPS, EPR, and contact angle analyses revealed that CeO2 loading increased surface hydrophilicity through the presence of oxygenated functional groups, thereby favoring electrochemical activity. On the other hand, all CeO2MnOx loadings were statistically equivalent to Vulcan XC-72 in terms of contact angle. Electrochemical evaluations using a rotating ring-disk electrode (RRDE) demonstrated enhanced ORR activity and high H2O2 selectivity for the 1% CeO2MnOx/C and 3% CeO2/C catalysts, achieving up to 90% selectivity and elevated ring currents. The results suggest that low metal loading and surface modification via MnOx improve the balance between active site exposure, oxygen adsorption, and intermediate stabilization, thus favoring the selective 2e$^-$ pathway. These findings support the development of cost-effective, non-noble-metal catalysts for green H2O2 production via electrosynthesis.

2606.11027 2026-06-10 cond-mat.mtrl-sci 新提交

Direction-Dependent Quantum Transport Properties of MoS$_2$ Integrated into Biphenylene Configuration

MoS$_2$集成到联苯网络构型中的方向依赖量子输运性质

Gözde Özbal Sargın

AI总结 通过第一性原理和量子输运计算,研究了MoS$_2$-BPN沿扶手椅和锯齿方向的电子、热和热电性能,发现显著的各向异性:扶手椅方向电流比锯齿方向高约7×10^4倍,且锯齿方向呈现负微分电导。

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AI中文摘要

受二维碳联苯网络(BPN)实验实现的启发,BPN拓扑结构向各种元素组的理论扩展已成功实现。在这项工作中,我们通过密度泛函理论(DFT)结合非平衡格林函数(NEGF)形式,进行了第一性原理和量子输运计算,揭示了原始MoS$_2$-BPN的电子、热、热电性能以及电流-电压(\textit{I-V})行为。在室温下,沿扶手椅和锯齿方向的声子热导率均非常低,分别为0.28 nW/K和0.23 nW/K。电子和热输运性质的方向依赖性清晰地反映在热电优值($zT$)中,沿扶手椅和锯齿方向分别达到第一个峰值0.27和0.19。电流-电压($I-V$)特性表现出极强的输运各向异性,其电流比$I_{\text{armchair}}/I_{\text{zigzag}} \approx 7 \times 10^4$。此外,沿扶手椅方向的电流随偏压稳定增加,而沿锯齿方向的输运则以显著的本征负微分电导(NDC)为特征。这种对比突显了沿两个正交轴的根本不同的电荷输运机制。因此,MoS$_2$的BPN相的不同方向可针对不同的纳米电子应用进行定制,其中扶手椅和锯齿轴分别作为可靠的电流开关和有源NDC器件。

英文摘要

Motivated by the experimental realization of the two-dimensional (2D) carbon biphenylene network (BPN), the theoretical extension of the BPN topology to various groups of elements was successfully implemented. In this work, we conducted first principles and quantum transport calculations to reveal the electronic, thermal, thermoelectric performance and current-voltage (\textit{I-V}) behavior of the pristine MoS$_2$-BPN by using density functional theory (DFT) combined with Non-Equilibrium Green's Function (NEGF) formalism. At room temperature, the phonon thermal conductance is remarkably low along both the armchair and zigzag orientations, with values of 0.28 nW/K and 0.23 nW/K, respectively. The directional dependence of the electronic and thermal transport properties is clearly reflected in the thermoelectric figure of merit ($zT$) values, which reach first peaks at 0.27 and 0.19 along the armchair and zigzag directions, respectively. The current-voltage ($I-V$) characteristics demonstrate an exceptionally strong transport anisotropy, characterized by a substantial current ratio of $I_{\text{armchair}}/I_{\text{zigzag}} \approx 7 \times 10^4$. Furthermore, while the current along the armchair direction increases steadily with the applied bias, transport along the zigzag direction is characterized by a pronounced intrinsic negative differential conductance (NDC). This contrast highlights fundamentally distinct charge transport mechanisms along the two orthogonal axes. Consequently, different directions of this BPN phase of MoS$_2$ can be tailored for distinct nanoelectronic applications, where the armchair and zigzag axes serve as a reliable current switch and an active NDC device, respectively.

2606.10995 2026-06-10 cond-mat.mtrl-sci 新提交

Ab initio study of magnetism in pristine and defective MnBi2Te4

原始和缺陷MnBi2Te4中磁性的从头计算研究

Ana Beatriz Pedro Fontes, Jiaqi Zhou, Simon M. -M. Dubois, Jean-Christophe Charlier

AI总结 利用从头计算方法系统研究了实验报道的各类缺陷对块体和单层MnBi2Te4磁性的影响,发现Mn空位和富Mn缺陷增强块体铁磁性,缺陷通过改变交换相互作用导致不同磁基态。

Comments 10 pages, 5 figures, 3 tables. Includes Appendix and Supplemental Material

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AI中文摘要

磁性材料MnBi2Te4(MBT)因其长程反铁磁性与非平庸拓扑电子性质的独特结合而受到广泛关注。然而,实验测量报告了不一致的磁化强度,这可能归因于各种本征缺陷。迄今为止,对缺陷工程化MBT系统的全面研究尚未建立。采用最先进的从头计算技术,本工作系统地研究了实验报道的各种缺陷在不同浓度下对块体和单层MBT磁性的影响。发现Mn空位和富Mn缺陷增强了块体MBT的铁磁性。对单层中富Mn和互混缺陷的研究表明,细微的结构和电子修饰可以改变磁耦合。投影到海森堡哈密顿量上表明,缺陷改变了交换相互作用,从而产生了不同的磁基态。本工作揭示了磁耦合机制,并为MnBi2Te4中磁性的实验控制提供了指导。

英文摘要

The magnetic material MnBi2Te4 (MBT) has garnered significant attention due to its unique combination of long-range antiferromagnetism and nontrivial topological electronic properties. However, experimental measurements report inconsistent magnetizations, which could be attributed to a variety of intrinsic defects. To date, a comprehensive investigation of defect-engineered MBT systems has not yet been established. Employing state-of-the-art $ab~initio$ techniques, this work systematically investigates the influence of various experimentally reported defects on the magnetic properties of bulk and monolayer MBT at different concentrations. Mn-vacancy and Mn-rich defects are found to enhance the ferromagnetism of bulk MBT. The investigation of Mn-rich and intermixing defects in the monolayer reveals that subtle structural and electronic modifications can alter the magnetic coupling. Projection onto a Heisenberg Hamiltonian demonstrates that defects modify exchange interactions, thereby giving rise to distinct magnetic ground states. This work sheds light on magnetic coupling mechanisms and provides guidelines for the experimental control of magnetism in MnBi2Te4.

2606.10991 2026-06-10 cond-mat.stat-mech 新提交

Geometry still matters in quasi-one-dimensional single-file transport

几何在准一维单列输运中仍然重要

Olivier Bénichou, Aurélien Grabsch

AI总结 本文通过推导精确的大尺度一维涨落流体动力学,证明在有限宽度的准一维通道中,即使禁止超车,横向平衡结构仍能定性改变输运定律,导致集体扩散系数非单调等几何反常。

Comments 9 pages, 12 pages of supplementary information

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AI中文摘要

单列输运意味着没有超车:粒子在狭窄通道中运动,同时保持其纵向顺序。这一简单约束具有深刻的动力学后果,最显著的是示踪子扩散,并使单列输运成为受限多体运动的典范形式,从沸石中的分子输运到窄通道中胶体的单列扩散。标准观点是,一旦超车被抑制,集体输运就简化为严格一维文件中的输运。在这里,我们表明这种简化在实验相关的有限宽度通道中失败:即使禁止交换,横向平衡结构控制输运定律,并能定性重塑它们。从完整受限几何中的布朗动力学出发,我们推导出纵向密度的精确大尺度一维涨落流体动力学,其系数由受限平衡状态方程确定。在最小硬核设置中,这产生了一个集体扩散系数,该系数在密度上可以变得非单调。这种几何反常传播到积分电流涨落、示踪位移涨落及相关密度分布的精确大尺度预测。该效应对相互作用势、通道几何、初始制备和微观动力学具有鲁棒性。因此,准一维单列输运定义了一个独特的机制,其中禁止超车并不会从集体输运中抹去几何效应。

英文摘要

Single-file transport means no overtaking: particles move in a narrow channel while preserving their longitudinal order. This simple constraint has profound dynamical consequences, most notably tracer subdiffusion, and has made single-file transport a paradigmatic form of confined many-body motion, observed from molecular transport in zeolites to single-file diffusion of colloids in narrow channels. The standard view is that, once overtaking is suppressed, collective transport reduces to that of a strictly one-dimensional file. Here we show that this reduction fails in experimentally relevant finite-width channels: even when exchange is forbidden, the transverse equilibrium structure controls the transport laws and can qualitatively reshape them. Starting from the Brownian dynamics in the full confined geometry, we derive an exact large-scale one-dimensional fluctuating hydrodynamics for the longitudinal density, whose coefficients are fixed by the confined equilibrium equation of state. In the minimal hard-core setting, this yields a collective diffusivity that can become non-monotonic in density. This geometric anomaly propagates to exact large-scale predictions for integrated-current fluctuations, tracer displacement fluctuations and the associated density profiles. The effect is robust to the interaction potential, channel geometry, initial preparation and microscopic dynamics. Quasi-one-dimensional single-file transport therefore defines a distinct regime in which forbidding overtaking does not erase geometry from collective transport.

2606.10980 2026-06-10 cond-mat.str-el cond-mat.mtrl-sci 新提交

Field-Induced Up-Up-Down State and Frustrated Magnetism in a Non-Kramers Triangular Antiferromagnet

非Kramers三角反铁磁体中的场致上-上-下态与受挫磁性

Zhaoyi Li, Qinchen Duan, Bo Wen, Ruidan Zhong, Shu Guo

AI总结 合成了新型三角晶格反铁磁体TmZnGaO4单晶,发现其磁化曲线出现1/3磁化平台,对应场致上-上-下自旋构型,零场比热显示两个宽峰,表明强自旋涨落和潜在奇异量子自旋态。

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AI中文摘要

合成了此前未报道的三角晶格反铁磁体TmZnGaO4单晶,并报道了其晶体结构、磁化率和比热。其晶体结构与横向场伊辛反铁磁体TmMgGaO4同构,Tm3+离子位于三角晶格层中,被主要由Ga3+和Zn2+离子组成的非磁性双层隔开。磁化率表明占主导的反铁磁相互作用。磁化曲线表现出强的易c轴各向异性,出现清晰的1/3磁化平台,与场致上-上-下自旋构型一致。系统未形成常规长程磁序,而是在零场比热测量中于0.11 K和2.81 K处出现两个宽异常,突显了强自旋涨落的持续存在和奇异量子自旋态的潜力。上述结果揭示了TmZnGaO4在探索奇异量子自旋态方面的未来研究价值。

英文摘要

A previously unreported triangular lattice (TL) antiferromagnet, TmZnGaO4, was synthesized as single crystals, and its crystal structure, magnetic susceptibilities, and specific heat were reported. Its crystal structure is isomorphic to that of the transverse-field Ising antiferromagnet TmMgGaO4, with Tm3+ ions located in the TLs, separated by a nonmagnetic bilayer composed mainly of Ga3+ and Zn2+ ions. The magnetic susceptibilities indicate the dominating antiferromagnetic interactions. The magnetization curves (M-H) exhibit strong easy-c-axis anisotropy, with a clear one-third magnetic plateau emerging, consistent with a field-induced up-up-down spin configuration. Instead of forming a conventional long-range magnetic order, the system exhibits two broad anomalies at 0.11 K and 2.81 K in zero-field specific heat measurements, highlighting the persistence of strong spin fluctuations and the potential for exotic quantum spin states. The above results reveal its future interest in exploring exotic quantum spin states in TmZnGaO4.

2606.10976 2026-06-10 cond-mat.str-el 新提交

Thermal Signatures of the Slater-Mott Crossover in the Hubbard Model: From Double Occupancy to Antiferromagnetic Correlation Length

Hubbard模型中Slater-Mott交叉的热特征:从双占据到反铁磁关联长度

Mingzhong Lu, Yu-Feng Song, Youjin Deng, Yuan-Yao He

AI总结 通过双占据温度导数的符号变化确定Hubbard模型Néel基态中Slater-Mott交叉的边界,并利用精确对角化和量子蒙特卡洛模拟得到二维半满模型的交叉点U_cross/t=4.0(2),同时从反铁磁关联长度最大值获得一致边界。

Comments 5 pages, 4 figures, and Supplementary Material

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AI中文摘要

Hubbard模型Néel有序基态中由相互作用驱动的从Slater绝缘体到Mott绝缘体的交叉是强关联电子的基本范式,但其定量表征一直难以捉摸。本文通过双占据的温度导数$(\partial D/\partial T)_U$在接近零温时的符号变化,为这一交叉建立了一个清晰且实验上可访问的热判据。在Slater区域,$(\partial D/\partial T)_U>0$反映了电荷涨落的主要作用;在Mott区域,异常的$(\partial D/\partial T)_U<0$(Pomeranchuk效应的体现)标志着低能自旋超交换物理的主导地位。利用精确对角化和数值精确的量子蒙特卡洛模拟,我们证明该判据确定了半满二维Hubbard模型的交叉边界为$U_{\ m cross}/t=4.0(2)$。此外,我们从反铁磁关联长度的最大值独立地得到了一致的边界,该最大值同样源于超交换物理。这两个热特征在理论上通过低温下热熵随相互作用$U$的局部极小值统一起来。我们的结果为在光晶格实验中识别Slater-Mott交叉提供了一个直接、可测量且物理直观的框架。

英文摘要

The interaction-driven crossover from a Slater insulator to a Mott insulator in the Néel-ordered ground state of the Hubbard model is a fundamental paradigm of strongly correlated electrons, yet its quantitative characterization has remained elusive. Here we establish a clear and experimentally accessible thermal criterion for this crossover via the sign change of the temperature derivative of double occupancy, $(\partial D/\partial T)_U$, near zero temperature. In the Slater regime, $(\partial D/\partial T)_U>0$ reflects the major role of charge fluctuations; in the Mott regime, the anomalous $(\partial D/\partial T)_U<0$, a manifestation of the Pomeranchuk effect, signals the dominance of low-energy spin superexchange physics. Using exact diagonalization and {\it numerically exact} quantum Monte Carlo simulations, we demonstrate that this criterion determines the crossover boundary at $U_{\rm cross}/t=4.0(2)$ for the half-filled two-dimensional Hubbard model. Furthermore, we obtain a consistent boundary independently from the maximum in the antiferromagnetic correlation length, which also arises from the superexchange physics. These two thermal signatures are theoretically unified through the local minimum of thermal entropy versus interaction $U$ at low temperatures. Our results offer a direct, measurable, and physically intuitive framework to identify the Slater-Mott crossover in optical lattice experiments.

2606.10915 2026-06-10 cond-mat.dis-nn 新提交

Local density of states distribution and multifractal eigenvectors of weighted random networks via the cavity approach

加权随机网络的局域态密度分布与多重分形本征矢:空腔方法

Joseph W. Baron, Tim Rogers

AI总结 利用空腔方法研究加权Erdős-Rényi图的局域态密度分布,得到其幂律尾指数为3,揭示连续谱本征矢是扩展但弱多重分形的,并推导了分形维数和奇异性谱。

Comments 14 pages, 5 figures

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AI中文摘要

我们研究了一类加权Erdős-Rényi图的局域态密度(LDoS)分布。利用空腔方法,我们获得了完整LDoS分布的良好近似以及其幂律尾的紧凑表达式,并证明在扩展相中幂律指数为$3$。我们推断连续谱部分的本征矢是扩展但(弱)多重分形的,并提取了相关分形维数和奇异性谱的表达式。我们还证明了该多重分形相中的逆参与比随系统大小呈现异常的对数标度,既非通常定义的完全扩展也非局域化。最后,我们验证了从非线性sigma模型导出的某些对称性质(已证明对许多呈现多重分形的系统成立)在我们的情况下也成立,无论是对于LDoS分布还是奇异性谱。

英文摘要

We study the local density of states (LDoS) distribution of a general class of weighted Erdős-Rényi graphs. Using the cavity method, we obtain a good approximation to the full LDoS distribution and compact expressions for its power-law tails, which we show to have exponent $3$ in the extended phase. We deduce that the eigenvectors in the continuous part of the spectrum are extended but (weakly) multifractal, and we extract expressions for the associated fractal dimensions and the singularity spectrum. We also demonstrate that the inverse participation ratio in this multifractal phase exhibits an unusual logarithmic scaling with system size, which is neither fully-extended nor localised by the usual definitions. Finally, we verify that some symmetry properties (derived from the non-linear sigma model), which have been shown to hold for many systems exhibiting multifractality, also hold in our case, both for the LDoS distribution and the singularity spectrum.

2606.10914 2026-06-10 cond-mat.mtrl-sci 新提交

Degeneracy and trajectory control of spin eigenmodes excited by fs-optical pulses in a nearly compensated ferrimagnet

近补偿铁磁体中飞秒光脉冲激发的自旋本征模的简并与轨迹控制

G. Yu. Levkin, D. M. Krichevsky, N. A. Gusev, A. K. Zvezdin, S. N. Polulyakh, V. I. Belotelov, D. O. Ignatyeva

AI总结 研究在磁化补偿点附近单轴铁磁体中,沿磁各向异性轴施加磁场时,两个自旋本征模频率接近并变得高度场敏感,在简并点处双频进动塌缩为线性振荡,双脉冲激发可控制自旋轨迹。

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AI中文摘要

我们研究了在沿磁各向异性轴施加磁场的情况下,磁化补偿点附近单轴铁磁体中的光激发自旋动力学。实验和数值模拟揭示了一个不寻常的机制,其中两个自旋本征模的频率相互接近并变得高度场敏感。对应于Neel矢量相反旋转的这两个模,在它们的频率变得简并的临界场处同时反转其手性。此时,双频进动动力学塌缩为由单个泵浦脉冲激发的逆法拉第效应诱导的线性振荡。我们进一步表明,双脉冲激发方案能够控制自旋轨迹。这些结果揭示了铁磁体中一种非常规的动力学机制,并为在磁振子系统和器件中操纵自旋运动建立了新的可能性。

英文摘要

We investigate optically excited spin dynamics in a uniaxial ferrimagnet near the magnetization compensation point under a magnetic field applied along the magnetic anisotropy axis. Experiment and numerical modeling reveal an unusual regime where the frequencies of two spin eigenmodes approach each other and become highly field sensitive. The modes, corresponding to opposite rotations of the Neel vector, simultaneously reverse their handedness at a critical field where their frequencies become degenerate. At this point, the two-frequency precessional dynamics collapses into a linear oscillations directed along the inverse-Faraday-effect excitation induced by a single pump pulse. We further show that a double-pulse excitation scheme enables control of the spin trajectory. These results uncover an unconventional dynamical regime in ferrimagnets and establish new opportunities for manipulating spin motion in magnonic systems and devices.

2606.10858 2026-06-10 cond-mat.stat-mech cond-mat.soft 新提交

Thermodynamic Approach to Momentum Transport in Dense Fluids

稠密流体中动量输运的热力学方法

Christopher Devik Fjeldstad, Jonas Bueie, Astrid S. de Wijn

AI总结 提出一种基于交换函数的热力学框架,将Chapman-Enskog理论扩展到非硬球流体,预测剪切粘度,在Lennard-Jones流体上误差低于8.1%。

详情
AI中文摘要

我们提出了一个新的框架,用于将Chapman-Enskog理论扩展到硬球流体模型之外。该方法不依赖于有效硬球直径,而是利用一个与系统热力学性质相关的交换函数。我们展示了两种现有的扩展,包括修正的Enskog理论(MET),都适用于这个新框架。基于我们的方法,我们提出了MET的一种替代方案,该方案考虑了流体中粒子间相互作用相关的势能。所提出的表达式被应用于预测几种不同模拟流体模型在Lennard-Jones单位下宽密度范围$0.05 \leq \rho^* \leq 0.8$和温度范围$1.5 \leq T^* \leq 4.0$内的剪切粘度。考虑的流体模型包括Weeks-Chandler-Anderson(WCA)流体和Lennard-Jones(LJ)流体。在低密度和中等密度(这里取$\rho^* \leq 0.3$)下,我们报告了这两种流体的平均相对预测误差在$2\\%$和$4\\%$之间。在所有考虑的密度下,WCA流体和LJ流体的最大平均相对误差分别为$4.4\\%$和$8.1\\%$。我们还研究了其他相互作用模型,包括双原子分子模型,以更好地理解我们方法的局限性。

英文摘要

We present a new framework for extending Chapman-Enskog theory beyond the hard-sphere fluid model. Rather than relying on effective hard sphere diameters, the approach makes use of on an exchange function which can be related to the thermodynamic properties of the system. We show that two existing extensions, including modified Enskog theory (MET), fit into this new framework. Based on our approach, we propose an alternative to MET that takes into account the potential interaction energy associated with the inter-particle interactions in the fluid. The proposed expression is applied to predicting the shear viscosity of several different simulated fluid models across a wide set of densities $0.05 \leq ρ^* \leq 0.8$ and temperatures $1.5 \leq T^* \leq 4.0$ in Lennard-Jones units. The fluid models considered include both the Weeks-Chandler-Anderson (WCA) fluid and the Lennard-Jones (LJ) fluid. At low and intermediate density, here taken to be $ρ^* \leq 0.3$, we report mean relative prediction errors between $2\%$ and $4\%$ for both these. Across all densities considered, the largest mean relative errors reported are $4.4\%$ and $8.1\%$ for the WCA fluid and LJ fluid respectively. We also investigate other interaction models, including a diatomic molecular model, in order to better understand the limitations of our approach.

2606.10854 2026-06-10 cond-mat.mes-hall 新提交

Magnetism and Topology from Circularly Polarized Phonon Floquet Engineering

圆极化声子Floquet工程中的磁性和拓扑

Dapeng Yao, Tiantian Zhang, Takashi Oka, Takehito Yokoyama

AI总结 理论证明圆极化声子通过Floquet工程诱导电子磁化并驱动拓扑相变,在蜂窝晶格中产生Haldane质量项,实现从平凡绝缘体到陈绝缘体的转变。

Comments 7+4 pages, 4+1 figures

详情
AI中文摘要

我们理论上证明,圆极化声子通过声子Floquet工程诱导电子磁化并驱动拓扑相变。考虑蜂窝晶格上被圆极化声子调制的电子态,我们表明这种晶格动力学产生有效的次近邻电子跳跃,导致Haldane型质量项。圆极化声子打破时间反演对称性(TRS)并在谷点打开能隙,经历从平凡绝缘体到陈绝缘体的相变。此外,由于TRS的破缺,轨道和自旋磁化出现。我们的结果表明,圆极化声子作为有效磁场来工程化磁性和拓扑,为声子Floquet方法提供了新的机会。

英文摘要

We theoretically show that circularly polarized phonons induce electronic magnetization and drive a topological phase transition via phonon Floquet engineering. Considering the electronic states modulated by circularly polarized phonons on a honeycomb lattice, we show that such lattice dynamics generates an effective next-nearest-neighbor electron hopping, leading to a Haldane-type mass term. Circularly polarized phonon breaks time-reversal symmetry (TRS) and opens a gap at valley points, undergoing phase transition from a trivial insulator to a Chern insulator. Moreover, the orbital and spin magnetizations emerge due to the breaking of TRS. Our results show that circularly polarized phonons serve as an effective magnetic field to engineer magnetism and topology, offering new opportunities for phonon Floquet approaches.

2606.10849 2026-06-10 cond-mat.mtrl-sci physics.chem-ph 新提交

Efficient analytic continuation approach to Bethe-Salpeter excitation spectra in selected energy windows

选定能量窗口内Bethe-Salpeter激发谱的高效解析延拓方法

Ivan Duchemin, Xavier Blase

AI总结 提出利用解析延拓技术在特定能量范围内构建Bethe-Salpeter吸收谱,通过迭代计算复平面上的极化率张量并构造连分式表示,实现高效谱计算。

详情
AI中文摘要

我们探讨了使用解析延拓技术在特定能量范围内构建Bethe-Salpeter吸收谱的优点。具体而言,我们迭代计算了复平面上粗网格频率$(z_k)$的几个$\bar{\bar \alpha}(z_k)$极化率张量。这些数据允许构造$\bar{\bar{\alpha}}(z)$的连分式表示,用于计算所需能量范围内靠近实能量轴的吸收谱。讨论了这些采样复频率的数量和位置。强调了构建具有矩阵值系数的全极化率张量连分式表示的重要性。我们展示了如何提取连分式的极点作为分析所得谱的工具。我们以典型二肽的价激发、C$_{60}$富勒烯及其PCBM衍生物,以及Ag$_{20}$银团簇的表面等离子体共振为例进行研究。此外,还探索了高能C$_{60}$ X射线吸收谱。

英文摘要

We explore the merits of building the Bethe-Salpeter absorption spectrum in a specific energy range using analytic continuation techniques. Specifically, we calculate iteratively a few $\bar{\bar α}(z_k)$ polarizability tensors for a coarse set of $(z_k)$ frequencies in the complex-plane. These data allow constructing a continued-fraction representation for $\bar{\barα}(z)$ that is used to calculate the absorption spectrum close to the real energy axis in the desired energy range. The number and location of these sampling complex frequencies are discussed. The importance of building a continued-fraction representation of the full polarizability tensor with matrix-valued coefficients is emphasized. We show how to extract the poles of the continued fraction as a tool for analyzing the resulting spectra. We study as examples the valence excitations of a paradigmatic dipeptide, the C$_{60}$ fullerene and its PCBM derivative, together with the description of the surface plasmon resonance of the Ag$_{20}$ silver cluster. Further, the high-energy C$_{60}$ X-ray absorption spectrum is explored.