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cond-mat.mtrl-sci2026★ 5 cited

Fresnel diffraction imaging of surface nanostructure using coherent resonant X-ray scattering

L. Burgard, C. Neupane, A. Balodhi +9

We investigated surface nanostructures on an antiferromagnet MnBiTe using a novel imaging technique, direct (real)-space and real time coherent X-ray imaging (direct-CXI).…

cond-mat.mtrl-sci2026

Mechanical Scaling Laws and Deformation Behavior of Nanoporous Tantalum Microparticles

J. I. Ramallo, N. Vázquez von Bibow, M. A. Monclús +3

The mechanical scaling laws of dealloyed nanoporous metals depart from classical Gibson-Ashby predictions for open-cell foams due to a decreased connectivity in their solid network…

cond-mat.mtrl-sci2026

Smoothed Boundary Method Framework for Electrochemical Simulation of Li-ion Battery Cathode with Complex Microstructure: Model, Formulation and Parameterization

Hui-Chia Yu, Bernardo Orvananos, Scott Cronin +3

Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte…

cond-mat.mtrl-sci2026★ 2 cited

Matter with apparent and hidden spin physics

Jia-Xin Xiong, Xiuwen Zhang, Lin-Ding Yuan +1

Materials with interesting physical properties are often designed based on our understanding of the target physical effects. The physical properties can be either explicitly observ…

cond-mat.mtrl-sci2026

Data-Driven Exploration and Insights into Temperature-Dependent Phonons in Inorganic Materials

Huiju Lee, Zhi Li, Jiangang he +1

Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite adv…

cond-mat.mtrl-sci2025★ 6 cited

Design and theory of switchable linear magnetoelectricity by ferroelectricity in Type-I multiferroics

Hui-Min Zhang, Cheng-Ao Ji, Tong Zhu +5

We present a comprehensive theoretical investigation of magnetoelectric (ME) coupling mechanisms in 19 altermagnetic and 4 ferrimagnetic Type-I multiferroics using electronic band…

cond-mat.mtrl-sci2025

Evolution from Topological Dirac Metal to Flat-band-Induced Antiferromagnet in Layered KxNi4S2 (0<=x<=1)

Hengdi Zhao, Xiuquan Zhou, Hyowon Park +17

Condensed matter systems with coexisting Dirac cones and flat bands, and a switchable control between them within a single system, are desirable but remarkably uncommon. Here we re…

cond-mat.mtrl-sci2025

Decoratypes: An Extensible Crystal Taxonomy for Machine Learning-Guided Materials Discovery

Kyle D. Miller, Michele Campbell, Danilo Puggioni +1

We introduce decoratypes as a structure taxonomy that classifies compounds based on site decorations of specific structural prototypes. Building on this foundation, a ferroelectric…

cond-mat.mtrl-sci2025★ 1 cited

Ferroelectricity in antiferromagnetic wurtzite nitrides

Steven M. Baksa, Lin-Ding Yuan, Stephen D. Wilson +1

Wurtzite-type nitrides have recently emerged as promising candidates for ferroelectric applications, yet their magnetic counterparts remain largely unexplored. Here, we establish M…

cond-mat.mtrl-sci2025

Short-Range Order and LiTM Probability Maps for Disordered Rocksalt Cathodes

Tzu-chen Liu, Steven B. Torrisi, Chris Wolverton

Short-range order (SRO) in the cation-disordered state is a controlling factor influencing the probability of finding Li tetrahedron clusters in disordered rocksalt (DRX) cat…

cond-mat.mtrl-sci2025★ 5 cited

High-throughput computational framework for lattice dynamics and thermal transport including high-order anharmonicity: an application to cubic and tetragonal inorganic compounds

Zhi Li, Huiju Lee, Chris Wolverton +1

Accurately predicting lattice thermal conductivity (kL) from first principles remains a challenge in identifying materials with extreme thermal behavior. While modern lattice dynam…

cond-mat.mtrl-sci2025★ 4 cited

High Temperature Quantum Emission from Covalently Functionalized van der Waals Heterostructures

S. Carin Gavin, Hsun-Jen Chuang, Anushka Dasgupta +10

Two-dimensional (2D) transition metal dichalcogenides (TMDs) are attractive nanomaterials for quantum information applications due to single photon emission (SPE) from atomic defec…

cond-mat.mtrl-sci2025★ 2 cited

Tailored ordering enables high-capacity cathode materials

Tzu-chen Liu, Adolfo Salgado-Casanova, So Yubuchi +7

Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathod…

cond-mat.mtrl-sci2025★ 26 cited

Fundamentals and advances in transverse thermoelectrics

Hiroto Adachi, Fuyuki Ando, Takamasa Hirai +3

Transverse thermoelectric effects interconvert charge and heat currents in orthogonal directions due to the breaking of either time-reversal symmetry or structural symmetry, enabli…

cond-mat.mtrl-sci2025

Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers

Jin Hou, Jared Fletcher, Siedah J. Hall +15

Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast,…

cond-mat.mtrl-sci2025★ 22 cited

Grain-size dependence of plastic-brittle transgranular fracture

Jean-Michel Scherer, Mythreyi Ramesh, Blaise Bourdin +1

The role of grain size in determining fracture toughness in metals is incompletely understood with apparently contradictory experimental observations. We study this grain-size depe…

cond-mat.mtrl-sci2025★ 6 cited

Atomic-resolution structural and spectroscopic evidence for the synthetic realization of two-dimensional copper boride

Hui Li, Qiyuan Ruan, Cataldo Lamarca +3

Since the first realization of borophene on Ag(111), two-dimensional (2D) boron nanomaterials have attracted significant interest due to their polymorphic diversity and potential f…

cond-mat.mtrl-sci2024★ 8 cited

Phase-Field Modeling of Fracture under Compression and Confinement in Anisotropic Geomaterials

Maryam Hakimzadeh, Carlos Mora-Corral, Noel Walkington +2

Strongly anisotropic geomaterials undergo fracture under compressive loading. This paper applies a phase-field fracture model to study this fracture process. While phase-field frac…

cond-mat.mtrl-sci2024★ 3 cited

Suppressed paramagnetism in amorphous TaO oxides and its link to superconducting qubit performance

P. Graham Pritchard, James M. Rondinelli

Reduced transmon qubit coherence times have been linked to the amorphous oxide layers formed by thin film capacitors during processing. Because Ta or Ta capped Nb capacitors…

cond-mat.mtrl-sci2024★ 6 cited

Accelerating Discovery of Extreme Lattice Thermal Conductivity by Crystal Attention Graph Neural Network (CATGNN) Using Chemical Bonding Intuitive Descriptors

Mohammed Al-Fahdi, Riccardo Rurali, Jianjun Hu +2

Designing materials with targeted lattice thermal conductivity (LTC) demands electronic-level insight into chemical bonding. We introduce two bonding descriptors, namely normalized…

cond-mat.mtrl-sci2024★ 1 cited

Tunable Anomalous Hall Effect in a Kagome Ferromagnetic Weyl Semimetal

Samuel E. Pate, Bin Wang, Yang Zhang +10

Emerging from the intricate interplay of topology and magnetism, the giant anomalous Hall effect (AHE) is the most known topological property of the recently discovered kagome ferr…

cond-mat.mtrl-sci2024★ 4 cited

A Quantitative Model of Triboelectric Charge Transfer

Karl P. Olson, Laurence D. Marks

Triboelectricity, when rubbing or contacting materials causes electric charge transfer, is ubiquitous across many fields, and has been studied in detail for centuries. Despite this…

cond-mat.mtrl-sci2024★ 15 cited

Effects of Mischmetal Composition and Cooling Rates on the Microstructure and Mechanical Properties of Al-(Ce, La, Nd) Eutectic Alloys

Jie Qi, Erin C. Bryan, David C. Dunand

This study investigates the substitution of cerium (Ce) with mischmetal (MM) in cast Al-MM alloys, focusing on microstructure, hardness, tensile and compression properties, creep r…

cond-mat.mtrl-sci2024★ 6 cited

Enhanced Superconducting Qubit Performance Through Ammonium Fluoride Etch

Cameron J. Kopas, Dominic P. Goronzy, Thang Pham +19

The performance of superconducting qubits is often limited by dissipation and two-level systems (TLS) losses. The dominant sources of these losses are believed to originate from am…