cond-mat.mtrl-sci 篇论文

Automated Extraction of Material Properties using LLM-based AI Agents

本文提出了一种基于大语言模型智能体的自动化工作流，成功从约 1 万篇科学文献中提取并构建了迄今为止规模最大的热电材料数据集，不仅显著降低了大规模数据提取的成本，还为数据驱动的材料发现奠定了坚实基础。

Subham Ghosh, Abhishek Tewari2026-03-10🔬 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 Arima2026-03-10🔬 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 Ang2026-03-10🔬 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 Zaccone2026-03-10🔬 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 Kohama2026-03-10🔬 cond-mat.mtrl-sci

Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials

本研究利用三种通用机器学习势函数（MACE-MATPES-PBE-0、Orb-v3 和 SevenNet-0），高效且准确地揭示了 Ti-23Nb-0.7Ta-2Zr 胫金属基合金中 C、N、O、H 间隙原子的能量分布及其对局部化学环境（特别是 Ti 富集和 Nb 邻近效应）的敏感性，证明了其在替代高成本第一性原理计算进行缺陷能学统计表征方面的潜力。

Miroslav Lebeda, Jan Drahokoupil, Veronika Mazáčová + 1 more2026-03-10🔬 cond-mat.mtrl-sci

Chemical Vapor Deposition of Nitrides by Carbon-free Brominated Precursors

本文通过在工业化学气相沉积系统中使用无碳溴化前驱体成功生长了 GaN 和 AlN 层，并证实该方法相比传统有机金属前驱体显著减少了光活性碳相关缺陷，从而有望提升高频和高功率氮化物器件的性能。

Stefano Leone, Teresa Duarte, Hanspeter Menner + 6 more2026-03-10🔬 cond-mat.mtrl-sci

Nonreciprocal charge transport in an iron-based superconductor with broken inversion symmetry engineered by a hydrogen-concentration gradient

该研究通过在 SmFeAsO 超导体薄膜中构建氢浓度梯度来打破空间反演对称性，成功在 40 K 以上的高温下实现了由非对称钉扎景观引起的涡旋运动非互易电荷输运，确立了浓度梯度工程作为在原本中心对称材料中实现反演破缺态的通用策略。

Takayuki Nagai, Yukito Nishio, Jumpei Matsumoto + 4 more2026-03-10🔬 cond-mat.mtrl-sci

Canted ferromagnetic order in a distorted triangular-lattice magnet Na $_2$ SrCo(VO $_4$ ) $_2$

该研究报道了三角晶格钴酸盐 Na $_2$ Sr(VO $_4$ ) $_2$ 在低温下呈现 canted 铁磁序，并揭示了 TO $_4$ 四面体结构畸变在调控此类 Glaserite 结构化合物磁相互作用及基态行为中的决定性作用。

Tengfei Peng, Xiaobai Ma, Xinyang Liu + 5 more2026-03-10🔬 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 Ping2026-03-10🔬 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. Benckiser2026-03-10🔬 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 Lanzara2026-03-10🔬 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 Gopalan2026-03-10🔬 cond-mat.mtrl-sci

Interface-Enhanced Superconductivity in Ultrathin TiN Proximitized by Topological Insulators

该研究通过构建拓扑绝缘体与超薄氮化钛（TiN）的异质结，利用界面电荷转移机制实现了超导转变温度的增强，为通过界面工程调控拓扑绝缘体 - 超导体异质结构中的超导性提供了新途径。

Renjie Xie, Bowen Hao, Min Ge + 11 more2026-03-10🔬 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. Polop2026-03-10🔬 cond-mat.mtrl-sci

cond-mat.mtrl-sci

Automated Extraction of Material Properties using LLM-based AI Agents

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

Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials

Chemical Vapor Deposition of Nitrides by Carbon-free Brominated Precursors

Nonreciprocal charge transport in an iron-based superconductor with broken inversion symmetry engineered by a hydrogen-concentration gradient

Canted ferromagnetic order in a distorted triangular-lattice magnet Na $_2$ SrCo(VO $_4$ ) $_2$

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

Interface-Enhanced Superconductivity in Ultrathin TiN Proximitized by Topological Insulators

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

From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution

cond-mat.mtrl-sci

Automated Extraction of Material Properties using LLM-based AI Agents

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

Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials

Chemical Vapor Deposition of Nitrides by Carbon-free Brominated Precursors

Nonreciprocal charge transport in an iron-based superconductor with broken inversion symmetry engineered by a hydrogen-concentration gradient

Canted ferromagnetic order in a distorted triangular-lattice magnet Na2_22​SrCo(VO4_44​)2_22​

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

Interface-Enhanced Superconductivity in Ultrathin TiN Proximitized by Topological Insulators

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

From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution

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

Canted ferromagnetic order in a distorted triangular-lattice magnet Na $_2$ SrCo(VO $_4$ ) $_2$

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