Accepted Papers

Machine-learning-guided high-throughput discovery of rare earth-free Fe-Co-S magnets

Timothy Liao, Zhao Tang, Weiyi Xia, Qi Zhang, Masahiro Sakurai, Renhai Wang, Chao Zhang, Huaijun Sun, Cai-Zhuang Wang, and James R. Chelikowsky

Accepted 27 August, 2026

Assessing foundational atomistic models for iron alloys under Earth’s core conditions

Tianqi Wan, Liangrui Wei, Zepeng Wu, Renata M. Wentzcovitch, and Yang Sun

Accepted 27 August, 2026

{110} <111> and {112} <111> dislocation behavior in W-Re alloys

Patrick F. McNutt, Pulkit Garg, Morgan R. Jones, Tresa M. Pollock, and Irene J. Beyerlein

Accepted 27 August, 2026

Insights into the magneto-structural phase transitions in Al $_{x}$ CoCrFeNi

Cameron S. Jorgensen, Ray Unocic, Xuesong Fan, Lou Santodonato, Peter K. Liaw, Dustin A. Gilbert, and Lisa DeBeer-Schmitt

Accepted 27 August, 2026

High-pressure structures of Bi $_{0.5}$ Sb $_{1.5}$ Te $_{3}$ at room temperature and in its superconducting states

C. Halbert, A. Lamichhane, B. Wang, S. Racioppi, N. P. Salke, R. Kumar, A. H. Manayil Marathamkottil, H. Farraj, K. Wang, E. H. T. Poldi, M. Ahart, Z. Liu, D. J. Schulze, Shaowei Song, X. Shi, Zhifeng Ren, Y. Meng, G. Konstantin, R. D. dos Reis, R. Tartaglia, L. Z. Deng, C. W. Chu, E. Zurek, and R. J. Hemley

Accepted 27 August, 2026

Doping dependence of the structural evolution in square net PrSb $_{x}$ Te $_{2 - x - δ}$

Josh Leeman, Scott B. Lee, Gabrielle Carrel, Kenneth Burch, and Leslie M. Schoop

Accepted 26 August, 2026

Anomalous spin-pumping behavior of half-metallic ferromagnet/ $d$ -wave superconductor heterostructures

Hadi H. Hassan, Santiago J. Carreira, M. Cabero, F. Martinet, Alexander Buzdin, Jacobo Santamaria, and Javier E. Villegas

Accepted 26 August, 2026

Complex magnetic phase diagrams in Tb $_{2}$ IrAl $_{4}$ Ge $_{2}$ and Er $_{2}$ IrAl $_{4}$ Ge $_{2}$

Karolina Gornicka, Matthew S. Cook, Brenden R. Ortiz, Andrew D. Christianson, and Andrew F. May

Accepted 26 August, 2026

Geometry-enforced topological chiral fermions in amorphous chiral metals

Justin Schirmann, Adolfo G. Grushin, and Benjamin J. Wieder

Accepted 26 August, 2026

Octahedral tilt relaxation decoupled from lattice parameters in epitaxial perovskite oxide films

Xuhui Xu, Yuta Ishii, Hidekazu Shimotani, Yuta Inoue, Yuto Miyahara, Kohei Miyazaki, Masao Nakamura, Daisuke Okuyama, Hajime Sagayama, Kakeru Ninomiya, Maiko Nishibori, and Yusuke Wakabayashi

Accepted 26 August, 2026

Interlayer-engineering of charge order wavevector in kagome metals

Muntafa M. Mahi, Quazi D. M. Khosru, M. Zahid Hasan, Mahbub Alam, and Md Shafayat Hossain

Accepted 25 August, 2026

K $_{2}$ Co $_{2}$ (TeO $_{3}$ ) $_{3}$ 2.5H $_{2}$ O: A zemannite-type dimer antiferromagnet

Austin M. Ferrenti, Maxime A. Siegler, Yiqing Hao, Chris Lygouras, Tong Chen, Tiffany A. Soetojo, Megan R. Rutherford, Natalia Drichko, Huibo Cao, Kenji M. Kojima, Alannah M. Hallas, and Tyrel M. McQueen

Accepted 25 August, 2026

Magnetic anisotropy related to hybridization between Fe 3 $d$ and As 4 $p$ orbitals in a bcc Fe-As thin film

Takahito Takeda, Karumuri Sriharsha, Seiji Aota, Ryo Okano, Le Duc Anh, Yukiharu Takeda, Akira Yasui, Miho Kitamura, Yuki K. Wakabayashi, Atsushi Fujimori, Masaaki Tanaka, and Masaki Kobayashi

Accepted 21 August, 2026

Hybrid sampling approach to machine-learning potentials for gas adsorption: Hydrogen adsorption in MOF-303

Kartik Sau, Ikutaro Hamada, Tamio Ikeshoji, Yiming Lu, Susmita Roy, Shohichi Furukawa, Linda Zhang, Hung Ba Tran, Takahiro Kondo, Hao Li, and Shin-ichi Orimo

Accepted 19 August, 2026

Design and phase stability of quaternary icosahedral Al-Cu-Fe-Co/Ni quasicrystals by Hume-Rothery rules

Sang Bum Yi, Hao Chen, Soumya S. Dash, Grzegorz Cios, Marek Mihalkovič, Michael Widom, and Yu Zou

Accepted 18 August, 2026

Bridging atomistic and continuum descriptions of nanoscale dislocation loops in tungsten

Joseph Duque, Sergei Dudarev, James Kermode, and Thomas Hudson

Accepted 18 August, 2026

Emergence of multiple relaxation processes during low to high density transition in Au $_{49}$ Cu $_{26.9}$ Si $_{16.3}$ Ag $_{5.5}$ Pd $_{2.3}$ metallic glass

Alberto Ronca, Antoine Cornet, Jie Shen, Thierry Deschamps, Eloi Pineda, Yuriy Chushkin, Federico Zontone, Mohamed Mezouar, Isabella Gallino, Gaston Garbarino, and Beatrice Ruta

Accepted 17 August, 2026

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Physical Review Materials

Accepted Papers

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Machine-learning-guided high-throughput discovery of rare earth-free Fe-Co-S magnets

Assessing foundational atomistic models for iron alloys under Earth’s core conditions

{110} <111> and {112} <111> dislocation behavior in W-Re alloys

Insights into the magneto-structural phase transitions in Al $_{x}$ CoCrFeNi

High-pressure structures of Bi $_{0.5}$ Sb $_{1.5}$ Te $_{3}$ at room temperature and in its superconducting states

Doping dependence of the structural evolution in square net PrSb $_{x}$ Te $_{2 - x - δ}$

Anomalous spin-pumping behavior of half-metallic ferromagnet/ $d$ -wave superconductor heterostructures

Complex magnetic phase diagrams in Tb $_{2}$ IrAl $_{4}$ Ge $_{2}$ and Er $_{2}$ IrAl $_{4}$ Ge $_{2}$

Geometry-enforced topological chiral fermions in amorphous chiral metals

Octahedral tilt relaxation decoupled from lattice parameters in epitaxial perovskite oxide films

Interlayer-engineering of charge order wavevector in kagome metals

K $_{2}$ Co $_{2}$ (TeO $_{3}$ ) $_{3}$ 2.5H $_{2}$ O: A zemannite-type dimer antiferromagnet

Magnetic anisotropy related to hybridization between Fe 3 $d$ and As 4 $p$ orbitals in a bcc Fe-As thin film

Hybrid sampling approach to machine-learning potentials for gas adsorption: Hydrogen adsorption in MOF-303

Design and phase stability of quaternary icosahedral Al-Cu-Fe-Co/Ni quasicrystals by Hume-Rothery rules

Bridging atomistic and continuum descriptions of nanoscale dislocation loops in tungsten

Emergence of multiple relaxation processes during low to high density transition in Au $_{49}$ Cu $_{26.9}$ Si $_{16.3}$ Ag $_{5.5}$ Pd $_{2.3}$ metallic glass

Perpendicular magnetic anisotropy of MgO/CoFeB on GaAs(110)

Decoupling the high-temperature spin-state and insulator-metal transitions in LaCoO $_{3}$ via heteroepitaxial strain

Vibrational spectra of $a$ -Ta $_{2}$ O $_{5}$ : A first-principles investigation

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