cond-mat.mtrl-sci 篇论文

Symmetry Classification of Magnetic Orders using Oriented Spin Space Groups

该论文利用自旋空间群理论建立了磁序的统一分类框架，通过引入定向自旋空间群概念揭示了自旋轨道耦合诱导的对称性破缺路径，并识别出一种由自旋轨道耦合产生净自旋磁矩的全新磁相——自旋轨道磁性。

Yuntian Liu, Xiaobing Chen, Yutong Yu, Jesús Etxebarria, J. Manuel Perez-Mato, Qihang LiuTue, 10 Ma🔬 cond-mat.mtrl-sci

Exceptional thermoelectric properties in Na $_2$ TlSb enabled by quasi-1D band structure

该研究通过第一性原理计算发现，具有准一维能带结构的块体全 Heusler 化合物 Na $_2$ TlSb 在保持低电子散射率的同时具备优异的电子输运性能，结合其超低的晶格热导率，预测其热电优值（ $zT$ ）在 300 K 至 600 K 温度范围内分别可达 2.4–4.4（ $p$ 型）和 1.5–3.0（ $n$ 型）。

Øven A. Grimenes (Norwegian University of Life Sciences), Ole M. Løvvik (SINTEF Sustainable Energy Technology), Kristian Berland (Norwegian University of Life Sciences)Tue, 10 Ma🔬 cond-mat.mtrl-sci

Modeling of a twisted-Kagome HoAgGe spin ice using Reduced-Configuration-Space Search and Density Functional Theory

本文通过第一性原理计算获取关键模型参数，并结合降维构型空间搜索与蒙特卡洛模拟，成功修正了以往经验参数的不足，准确描述了 HoAgGe 扭曲 Kagome 自旋冰在磁场下的丰富相图及其阶梯状磁化平台现象。

Gunnar F. Schwertfeger, Po-Hao Chang, Predrag Nikolic, Igor I. MazinTue, 10 Ma🔬 cond-mat.mtrl-sci

Cryogenic Magnetization Dynamics in Chemically Stabilized, Tensile-Strained Ultrathin Yttrium Iron Garnets with Tunable Magnetic Anisotropy

该研究通过脉冲激光沉积在 GSGG 衬底上生长了化学稳定且受张应变的超薄 YIG 薄膜，利用钪（Sc）抑制界面互扩散，从而在 2K 低温下实现了超低阻尼损耗和可调磁各向异性，为低温自旋电子学应用提供了关键材料基础。

Jihyung Kim, Dongchang Kim, Seung-Gi Lee, Yung-Cheng Li, Jae-Chun Jeon, Jiho Yoon, Sachio Komori, Ryotaro Arakawa, Tomoyasu Taniyama, Stuart S. P. Parkin, Kun-Rok JeonTue, 10 Ma🔬 cond-mat.mes-hall

Interaction-driven flat band and charge order in Fe5GeTe2

该研究利用高分辨率角分辨光电子能谱，在范德华磁体 Fe5GeTe2 中发现了由强电子相互作用驱动的费米能级平带及其诱导的 $\sqrt{3}\times\sqrt{3}\,R30^\circ$ 电荷序，揭示了强关联效应下相干费米液体与大规模电子有序共存的物理机制。

Qiang Gao, Gabriele Berruto, Khanh Duy Nguyen, Chaowei Hu, Paul Malinowski, Haoran Lin, Beomjoon Goh, Bo Gyu Jang, Xiaodong Xu, Peter Littlewood, Jiun-Haw Chu, Shuolong YangTue, 10 Ma🔬 cond-mat.mes-hall

Unified Description of Spin-Lattice Coupling and Thermodynamics in the Pyrochlore Heisenberg Antiferromagnet

该论文提出了一种统一描述自旋 - 晶格耦合的扩展模型，该模型在同等基础上处理键声子与格点声子，成功复现了金字塔晶格海森堡反铁磁体中的连续场致相变及负热膨胀等复杂热力学特性，为解析自旋 - 晶格耦合机制提供了通用框架。

Masaki Gen, Hidemaro Suwa, Shusaku Imajo, Chao Dong, Hiroaki Ueda, Makoto Tachibana, Akihiko Ikeda, Koichi Kindo, Yoshimitsu KohamaTue, 10 Ma🔬 cond-mat.mtrl-sci

CbLDM: A Diffusion Model for recovering nanostructure from atomic pair distribution function

该论文提出了一种基于条件的潜在扩散模型（CbLDM），利用拉普拉斯矩阵和条件先验，成功解决了从原子对分布函数（PDF）反演单金属纳米颗粒三维结构的病态逆问题，生成了既符合观测数据又具有物理意义的纳米结构。

Jiarui Cao, Zhiyang Zhang, Heming Wang, Jun Xu, Ling Lan, Simon J. L. Billinge, Ran GuTue, 10 Ma🔬 cond-mat.mtrl-sci

Effect of uniaxial stress on helimagnetic phases in the square-lattice itinerant magnet EuAl $_{4}$

该研究结合输运、磁化及中子散射实验与第一性原理计算，揭示了沿[010]方向的单轴压缩应力通过诱导正交晶格畸变和费米面嵌套变化，显著增强了EuAl $_{4}$ 的反铁磁特性并提高了其螺旋磁相的临界温度与磁场。

Masaki Gen, Takuya Nomoto, Hiraku Saito, Taro Nakajima, Yusuke Tokunaga, Rina Takagi, Shinichiro Seki, Taka-hisa ArimaTue, 10 Ma🔬 cond-mat.mtrl-sci

Altermagnetic Flatband-Driven Fermi Surface Geometry for Giant Tunneling Magnetoresistance

该研究通过探究 $\mathrm{KV_2Se_2O}$ 等实验合成反铁磁体中由平带驱动的费米面几何结构，揭示了其如何最小化自旋通道重叠，从而在反铁磁隧道结中实现超过 $10^6\%$ 的超高隧穿磁阻效应。

Xingyue Yang, Shibo Fang, Zongmeng Yang, Pin Ho, Jing Lu, Yee Sin AngTue, 10 Ma🔬 cond-mat.mtrl-sci

Atomistic Framework for Glassy Polymer Viscoelasticity Across Twenty Frequency Decades

该研究通过引入时间依赖记忆核的广义朗之万方程扩展非仿射变形理论，成功实现了对聚甲基丙烯酸甲酯（PMMA）玻璃态聚合物在跨越二十个数量级频率范围内粘弹性响应的统一表征，其预测结果与多种实验及模拟数据高度吻合。

Ankit Singh, Vinay Vaibhav, Caterina Czibula, Astrid Macher, Petra Christoefl, Karin Bartl, Gregor Trimmel, Timothy W. Sirk, Alessio ZacconeTue, 10 Ma🔬 cond-mat.mtrl-sci

Magnetocaloric effect measurements in ultrahigh magnetic fields up to 120 T

该论文报道了在高达 120 T 的超高磁场下，利用金锗薄膜温度计对经典自旋冰化合物 Ho $_{2}$ Ti $_{2}$ O $_{7}$ 进行磁热效应原理验证测量，成功探测到低场下的巨磁热效应及高场区晶体场能级交叉引起的温度快速变化。

Reon Ogawa, Masaki Gen, Kazuyuki Matsuhira, Yoshimitsu KohamaTue, 10 Ma🔬 cond-mat.mtrl-sci

Photogalvanic currents from first-principles real-time density-matrix dynamics

该论文提出了一种基于第一性原理的实时密度矩阵形式，通过全面纳入声子介导的量子散射机制，实现了对非中心对称材料中瞬态与稳态光生电流（包括位移电流和注入电流）的预测，并揭示了其与量子几何量（如贝里曲率和量子度量）的内在联系。

Junting Yu, Andrew Grieder, Jacopo Simoni, Ravishankar Sundararaman, Aris Alexandradinata, Yuan PingTue, 10 Ma🔬 cond-mat.mtrl-sci

From perovskite to infinite-layer nickelates: hole concentration from x-ray absorption

该研究利用软 X 射线吸收光谱结合理论计算发现，无限层镍酸盐薄膜即使在最大还原状态下，其镍 3d 空穴数仍高达 1.35 且伴随氧 2p 空穴的存在，表明其掺杂机制涉及自掺杂效应与氧非化学计量比的复杂相互作用，从而挑战了此前关于空穴掺杂极限的假设。

R. Pons, M. Flavenot, K. Fürsich, E. Schierle, E. Weschke, M. R. Cantarino, E. Goering, P. Nagel, S. Schuppler, G. Kim, G. Logvenov, B. Keimer, R. J. Green, D. Preziosi, E. BenckiserTue, 10 Ma🔬 cond-mat.mtrl-sci

Discovery of Van Hove Singularities: Electronic Fingerprints of 3Q Magnetic Order in a van der Waals Quantum Magnet

该研究通过角分辨光电子能谱实验，在 CoxTaS2 中首次直接观测到与 3Q 磁序理论预测一致的“反墨西哥帽”色散及范霍夫奇点，从而在电子结构层面证实了这种奇异磁序的存在。

Hai-Lan Luo, Josue Rodriguez, Debasis Dutta, Maximilian Huber, Haoyue Jiang, Luca Moreschini, Catherine Xu, Alexei Fedorov, Chris Jozwiak, Aaron Bostwick, Guoqing Chang, James G. Analytis, Dung-Hai Lee, Alessandra LanzaraTue, 10 Ma🔬 cond-mat.mtrl-sci

Embedded Ferroelectric Nanoclusters can drive Polarization Reversal in a Non-Ferroelectric Polar Film via the Proximity Effect

该研究通过朗道 - 金兹堡 - 德文希尔热力学方法与有限元模拟证明，嵌入的 Al1-xScxN 铁电纳米团簇可利用近邻效应在 AlN 非铁电极性薄膜中诱导极化反转，从而显著降低其矫顽场并实现“解冻”冻结铁电体的可控成核。

Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalin, Long-Qing Chen, Dean R. Evans, Venkatraman GopalanTue, 10 Ma🔬 cond-mat.mtrl-sci

Nanoscale imaging reveals critical plating and stripping mechanisms in anode-free lithium and sodium solid-state batteries

该研究通过引入虚拟电极低能电子显微镜（VE-LEEM）技术，揭示了无负极固态电池中锂和钠的沉积与剥离机制存在内在不对称性，指出剥离过程涉及晶界解链和团簇衰变并留下残留层，从而推翻了沉积与剥离动态镜像对称的传统假设，为设计高能量、长寿命的无负极固态电池提供了关键的界面能量框架。

J. Diaz-Sanchez, P. Hernandez-Martin, N. Kwiatek-Maroszek, H. R. Bratlie, R. Anton, A. Lowack, A. Galindo, K. Kataoka, E. Vasco, K. Nikolowski, D. Rettenwander, E. G. Michel, M. A. Nino, M. Foerster, C. PolopTue, 10 Ma🔬 cond-mat.mtrl-sci

cond-mat.mtrl-sci

Symmetry Classification of Magnetic Orders using Oriented Spin Space Groups

Exceptional thermoelectric properties in Na $_2$ TlSb enabled by quasi-1D band structure

Modeling of a twisted-Kagome HoAgGe spin ice using Reduced-Configuration-Space Search and Density Functional Theory

Cryogenic Magnetization Dynamics in Chemically Stabilized, Tensile-Strained Ultrathin Yttrium Iron Garnets with Tunable Magnetic Anisotropy

Interaction-driven flat band and charge order in Fe5GeTe2

Unified Description of Spin-Lattice Coupling and Thermodynamics in the Pyrochlore Heisenberg Antiferromagnet

CbLDM: A Diffusion Model for recovering nanostructure from atomic pair distribution function

Effect of uniaxial stress on helimagnetic phases in the square-lattice itinerant magnet EuAl $_{4}$

Altermagnetic Flatband-Driven Fermi Surface Geometry for Giant Tunneling Magnetoresistance

Atomistic Framework for Glassy Polymer Viscoelasticity Across Twenty Frequency Decades

Magnetocaloric effect measurements in ultrahigh magnetic fields up to 120 T

Photogalvanic currents from first-principles real-time density-matrix dynamics

From perovskite to infinite-layer nickelates: hole concentration from x-ray absorption

Discovery of Van Hove Singularities: Electronic Fingerprints of 3Q Magnetic Order in a van der Waals Quantum Magnet

Embedded Ferroelectric Nanoclusters can drive Polarization Reversal in a Non-Ferroelectric Polar Film via the Proximity Effect

Nanoscale imaging reveals critical plating and stripping mechanisms in anode-free lithium and sodium solid-state batteries

Phase field as a front propagation method for modeling grain growth in additive manufacturing

Collapse of Jahn-Teller Phonons in La $_{1-x}$ Sr $_{x}$ MnO $_3$ with Weak Magnetoresistance

Effect of Exchange-Correlation Functionals on Schottky Barriers at Si/Metal Interfaces

Patterns of load, elastic energy and damage in network models of architected composite materials

cond-mat.mtrl-sci

Symmetry Classification of Magnetic Orders using Oriented Spin Space Groups

Exceptional thermoelectric properties in Na2_22​TlSb enabled by quasi-1D band structure

Modeling of a twisted-Kagome HoAgGe spin ice using Reduced-Configuration-Space Search and Density Functional Theory

Cryogenic Magnetization Dynamics in Chemically Stabilized, Tensile-Strained Ultrathin Yttrium Iron Garnets with Tunable Magnetic Anisotropy

Interaction-driven flat band and charge order in Fe5GeTe2

Unified Description of Spin-Lattice Coupling and Thermodynamics in the Pyrochlore Heisenberg Antiferromagnet

CbLDM: A Diffusion Model for recovering nanostructure from atomic pair distribution function

Effect of uniaxial stress on helimagnetic phases in the square-lattice itinerant magnet EuAl4_{4}4​

Altermagnetic Flatband-Driven Fermi Surface Geometry for Giant Tunneling Magnetoresistance

Atomistic Framework for Glassy Polymer Viscoelasticity Across Twenty Frequency Decades

Magnetocaloric effect measurements in ultrahigh magnetic fields up to 120 T

Photogalvanic currents from first-principles real-time density-matrix dynamics

From perovskite to infinite-layer nickelates: hole concentration from x-ray absorption

Discovery of Van Hove Singularities: Electronic Fingerprints of 3Q Magnetic Order in a van der Waals Quantum Magnet

Embedded Ferroelectric Nanoclusters can drive Polarization Reversal in a Non-Ferroelectric Polar Film via the Proximity Effect

Nanoscale imaging reveals critical plating and stripping mechanisms in anode-free lithium and sodium solid-state batteries

Phase field as a front propagation method for modeling grain growth in additive manufacturing

Collapse of Jahn-Teller Phonons in La1−x_{1-x}1−x​Srx_{x}x​MnO3_33​ with Weak Magnetoresistance

Effect of Exchange-Correlation Functionals on Schottky Barriers at Si/Metal Interfaces

Patterns of load, elastic energy and damage in network models of architected composite materials

Exceptional thermoelectric properties in Na $_2$ TlSb enabled by quasi-1D band structure

Effect of uniaxial stress on helimagnetic phases in the square-lattice itinerant magnet EuAl $_{4}$

Collapse of Jahn-Teller Phonons in La $_{1-x}$ Sr $_{x}$ MnO $_3$ with Weak Magnetoresistance