Browse Issues:

HIGHLIGHTED ARTICLES

Relativistic effects in LaBi2 thin films

Reiley Dorrian, Sungmin Song, Jinwoong Kim, Mizuki Ohno, Seung-Hoon Jhi, Nicholas Kioussis, and Joseph Falson

Phys. Rev. Materials 10, 053401 (2026) - Published 21 May, 2026

Relativistic spin-orbit coupling (SOC) is an important ingredient for discovering novel electronic phenomena in quantum materials. In this work, the authors investigate the consequences of strong SOC on the physical properties of the LaPn2 (Pn = Sb, Bi) class of layered square-net materials via the synthesis of LaBi2 thin films. They report a layer-by-layer growth mode, a previously mis-indexed monoclinic structure type, and classify the compound as a good metal displaying superconductivity at ~0.55 K. Compared to LaSb2, density functional theory calculations attribute the enhanced metallic behavior and growth dynamics of LaBi2 to significant relativistic corrections to its electronic band structure.

Seamlessly joining length scales: From atomistic thermal graphs to anisotropic continuum conductivity

C. Ugwumadu, D. A. Drabold, and R. M. Tutchton

Phys. Rev. Materials 10, 053804 (2026) - Published 21 May, 2026

From Atoms to Devices: SCACS, Bridging the Longstanding Scale Gap in Heat Transport SCACS (Simulator Collection for Atomic-to-Continuum Scales) is a first-of-its-kind simulation framework that connects atomic-scale material structure directly to device-scale predictions of heat flow. This solves a longstanding problem in science and engineering: how to use atomic-level information to predict the behavior of real materials and devices. Statistical mechanics is a classic example of linking microscopic physics to large-scale properties such as temperature and pressure. In a similar spirit, SCACS links atomic, mesoscopic, and macroscopic descriptions of thermal transport in a continuous and practical way. The method starts from atomistic information, preserves the effects of defects, interfaces, and disorder, and transfers that information into engineering-scale heat-flow simulations. A machine-learning model is used as a computational tool to extend these predictions to much larger systems than would otherwise be practical. The result is a new route for carrying atomic-scale thermal physics into device-scale models, with potential value for designing semiconductors, energy materials, and other technologies where heat management is critical.

Impact of magnons, defects, and rapid energy migration on the optical properties of the 2D magnet CrPS4

Jacob T. Baillie, Eden Tzanetopoulos, Rachel T. Smith, Rémi Beaulac, and Daniel R. Gamelin

Phys. Rev. Materials 10, 054001 (2026) - Published 1 May, 2026

The layered antiferromagnet CrPS4 offers a compelling platform for exploring strong coupling between optical and magnetic properties in van der Waals magnets. This study provides a new description of excitons and excitonic transitions in CrPS4. The rich fine structure observed at the optical gap by photoluminescence and photoluminescence excitation spectroscopies is shown to be dominated by on-site Cr3+ spin-flip transitions coupled to spin transitions in the surrounding CrPS4 lattice. This coupling generates resolved magnon sidebands reflecting dispersion along the lattice’s linear Cr3+ chains. Rapid exciton diffusion indicates weakly dispersive excitons that are highly susceptible to traps and luminescence activators.

Magnetism of single crystalline breathing pyrochlore spinel AgInCr4S8

Andrew F. May, Christopher M. Pasco, V. O. Garlea, Karolina Gornicka, Matthias D. Frontzek, Xiaoping Wang, Pyeongjae Park, and Andrew D. Christianson

Phys. Rev. Materials 10, 054410 (2026) - Published 14 May, 2026

Chromium-based spinels with a breathing pyrochlore lattice provide a model platform for studying competing magnetic interactions arising from their lattice geometry. The authors report the growth of single crystals of AgInCr₄S₈ and note that the observed properties are sensitive to growth conditions, particularly sulfur overpressure. Single-crystal neutron diffraction confirms A-site ordering and reveals an incommensurate magnetic ground state that can be described by a simple helical structure. As single crystals of breathing pyrochlores are rare, this work establishes AgInCr₄S₈ as a model system for future experimental studies. Consideration of cation size trends in related compounds suggests this system lies near the upper limit of A-site ordering stability.

Anisotropic magnetism and Kondo-lattice behavior in the frustrated antiferromagnet Ce3MgBi5

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

Phys. Rev. Materials 10, 054413 (2026) - Published 18 May, 2026

Ce-based intermetallic compounds provide a rich platform for exploring the interplay between geometric frustration, magnetic anisotropy, and Kondo-lattice behavior. Here, the authors report the synthesis and physical characterization of single-crystalline Ce3MgBi5. Combining magnetization, transport, and thermodynamic measurements, the study reveals Kondo-lattice behavior coexisting with frustrated magnetism associated with the distorted kagome-like arrangement of Ce moments. The resulting dome-shaped H–T phase diagram and correlated magnetotransport response establish Ce3MgBi5 as a promising system for studying the interplay between geometric frustration, anisotropic exchange interactions, and Kondo hybridization in Ce-based correlated electron materials.

Magnetic phase diagram and spin Hamiltonian of antiferromagnet Cs2CoI4

S. D. Nabi, L. Facheris, V. Romerio, V. Kocsis, K. Yu. Povarov, D. Sheptyakov, J. Lass, D. G. Mazzone, H. Kikuchi, T. Masuda, S. A. Barnett, D. R. Allan, Z. Yan, S. Gvasaliya, and A. Zheludev

Phys. Rev. Materials 10, 054420 (2026) - Published 29 May, 2026

The S=3/2 compound Cs2CoI4 is a new member of the celebrated family of frustrated magnets Cs2MX4 (M = transition metal ion; X = halogen or oxygen). Thermodynamic and neutron scattering measurements reveal a complex magnetic phase diagram and excitation spectrum markedly different from related compounds. A structural phase transition is central to understanding this behavior. Based on the solved low-temperature crystal structure, a spin Hamiltonian is constructed that captures the observed spin dynamics and provides a qualitative understanding of the phase diagram.

Second harmonic generation imaging of local antiferroelectric-ferroelectric phase transitions in a PbZrO3 thin film

A. Levchuk, P. Dufour, K. Parmar, M. Viret, T. Maroutian, S. Fusil, V. Garcia, and J.-Y. Chauleau

Phys. Rev. Materials 10, L051401 (2026) - Published 14 May, 2026

While ferroelectrics have long dominated device applications, their antiferroelectric counterparts remain largely unexplored. However, now, antiferroelectrics are stepping into the spotlight, promising breakthroughs in energy storage, solid-state cooling, and even new computing paradigms. Here, we capture the elusive transition between antipolar and polar states in epitaxial PbZrO3, using operando second-harmonic generation imaging to reveal its spatial complexity. By directly visualizing symmetry breaking and phase coexistence under electric fields, this work opens a new window onto the microscopic dynamics governing antiferroelectric-ferroelectric switching.

Strong long-wavelength electron-phonon coupling in Ta2Ni(Se,S)5

Zhibo Kang, Burak Gurlek, Weichen Tang, Xiang Chen, Jacob P. C. Ruff, Ahmet Alatas, Ayman H. Said, Robert J. Birgeneau, Steven G. Louie, Angel Rubio, Simone Latini, and Yu He

Phys. Rev. Materials 10, L053201 (2026) - Published 4 May, 2026

The candidacy of Ta2Ni(Se,S)5 as an naturally exciton-condensed system has been intensely debated. Using high-resolution inelastic x-ray scattering to obtain the momentum-resolved phonon spectral function, this study tackles the controversy by revealing the absence of the phase twisting mode expected in a condensed phase. Crucially, the authors extract an exceptionally large dimensionless electron-phonon coupling constant of g/ωph ~ 10 in the metallic normal state, placing the system in a rare ultra-strong coupling regime. By establishing Ta2Ni(Se,S)5 as a solid-state testbed for ultra-strong coupling, this work opens exciting new avenues for engineering ultrafast, lattice-driven quantum control.

REVIEW ARTICLES

Structure, composition, and high-field superconductivity in metal-rich η-carbide-type compounds

Manuele Balestra, KeYuan Ma, Harald O. Jeschke, and Fabian O. von Rohr

Phys. Rev. Materials 10, 050301 (2026) - Published 28 May, 2026

η-Carbide–type superconductors have recently emerged as a promising family of metal-rich quantum materials exhibiting unusually large upper critical fields. Despite their cubic, centrosymmetric crystal structures, several members exceed the weak-coupling Pauli paramagnetic limit and display signatures of unusual high-field superconductivity. This Research Update summarizes recent advances in synthesis, superconducting properties, pressure tuning, and electronic-structure calculations across the η-carbide family.

LETTERS

Crystal growth, crystallization, and kinetics

Rapid synthesis of dual-element isotope-enriched αMoO3 crystals by reactive vapor transport

Ryan W. Spangler, Jacob M. Shusterman, Thiago S. Arnaud, Anton V. Ievlev, Joshua D. Caldwell, Patrick E. Hopkins, and Jon-Paul Maria

Phys. Rev. Materials 10, L050401 (2026) - Published 20 May, 2026

Topological and Dirac materials

Complex electronic topography and magnetotransport in an in-plane ferromagnetic kagome metal

Anup Pradhan Sakhya, Richa Pokharel Madhogaria, Barun Ghosh, Nabil Atlam, Milo Sprague, Mazharul Islam Mondal, Himanshu Sheokand, Arun K. Kumay, Shirin Mozaffari, Rui Xue, Yong P. Chen, David G. Mandrus, Arun Bansil, and Madhab Neupane

Phys. Rev. Materials 10, L051201 (2026) - Published 11 May, 2026

Kagome materials, with their corner-sharing triangular lattice, have attracted strong interest due to the interplay of correlations, magnetism, symmetry, and topology. Here, the authors engineer the magnetic landscape of ScMn6Sn6 via Ga doping to realize ScMn6(Sn0.78Ga0.22)6, which exhibits robust ferromagnetism below 375 K with an in-plane easy axis. High-resolution angle-resolved photoemission spectroscopy (ARPES) measurements reveal a Dirac cone near the Fermi energy, while theoretical calculations show that its gap can be tuned by the orientation of the magnetic moments. Additionally, a flat band spanning a large region of the Brillouin zone, originating from the Kagome lattice, is observed.

Extremely large magnetoresistance and quantum oscillations in ultra-high-quality single crystals of the Weyl semimetal WTe2

Shota Okazaki and Takao Sasagawa

Phys. Rev. Materials 10, L051202 (2026) - Published 20 May, 2026

Magnetic, ferroelectric, and multiferroic materials

Second harmonic generation imaging of local antiferroelectric-ferroelectric phase transitions in a PbZrO3 thin film

A. Levchuk, P. Dufour, K. Parmar, M. Viret, T. Maroutian, S. Fusil, V. Garcia, and J.-Y. Chauleau

Phys. Rev. Materials 10, L051401 (2026) - Published 14 May, 2026

While ferroelectrics have long dominated device applications, their antiferroelectric counterparts remain largely unexplored. However, now, antiferroelectrics are stepping into the spotlight, promising breakthroughs in energy storage, solid-state cooling, and even new computing paradigms. Here, we capture the elusive transition between antipolar and polar states in epitaxial PbZrO3, using operando second-harmonic generation imaging to reveal its spatial complexity. By directly visualizing symmetry breaking and phase coexistence under electric fields, this work opens a new window onto the microscopic dynamics governing antiferroelectric-ferroelectric switching.

Semiconducting materials

Engineering the optical absorption in S-hyperdoped Si from short wavelength to far infrared: A first-principles study

Francesco Melone, Giovanni Onida, and Alberto Debernardi

Phys. Rev. Materials 10, L051601 (2026) - Published 11 May, 2026

Fine tuning of GaP properties by selective stopping of energetic heavy ions

Ayman S. El-Said, Zamzam Ibnu-Sina, Shavkat Akhmadaliev, René Heller, René Hübner, Michael Sorokin, Stefan Facsko, and Christina Trautmann

Phys. Rev. Materials 10, L051602 (2026) - Published 18 May, 2026

Nanomaterials

Crossover of nonreciprocal heat transfer in nonlinear phonon hydrodynamic regime

Wanying Liu, Kai Zhang, and Yangyu Guo

Phys. Rev. Materials 10, L053001 (2026) - Published 21 May, 2026

Materials for Quantum Technologies

Strong long-wavelength electron-phonon coupling in Ta2Ni(Se,S)5

Zhibo Kang, Burak Gurlek, Weichen Tang, Xiang Chen, Jacob P. C. Ruff, Ahmet Alatas, Ayman H. Said, Robert J. Birgeneau, Steven G. Louie, Angel Rubio, Simone Latini, and Yu He

Phys. Rev. Materials 10, L053201 (2026) - Published 4 May, 2026

The candidacy of Ta2Ni(Se,S)5 as an naturally exciton-condensed system has been intensely debated. Using high-resolution inelastic x-ray scattering to obtain the momentum-resolved phonon spectral function, this study tackles the controversy by revealing the absence of the phase twisting mode expected in a condensed phase. Crucially, the authors extract an exceptionally large dimensionless electron-phonon coupling constant of g/ωph ~ 10 in the metallic normal state, placing the system in a rare ultra-strong coupling regime. By establishing Ta2Ni(Se,S)5 as a solid-state testbed for ultra-strong coupling, this work opens exciting new avenues for engineering ultrafast, lattice-driven quantum control.

ARTICLES

Crystal growth, crystallization, and kinetics

Relativistic effects in LaBi2 thin films

Reiley Dorrian, Sungmin Song, Jinwoong Kim, Mizuki Ohno, Seung-Hoon Jhi, Nicholas Kioussis, and Joseph Falson

Phys. Rev. Materials 10, 053401 (2026) - Published 21 May, 2026

Relativistic spin-orbit coupling (SOC) is an important ingredient for discovering novel electronic phenomena in quantum materials. In this work, the authors investigate the consequences of strong SOC on the physical properties of the LaPn2 (Pn = Sb, Bi) class of layered square-net materials via the synthesis of LaBi2 thin films. They report a layer-by-layer growth mode, a previously mis-indexed monoclinic structure type, and classify the compound as a good metal displaying superconductivity at ~0.55 K. Compared to LaSb2, density functional theory calculations attribute the enhanced metallic behavior and growth dynamics of LaBi2 to significant relativistic corrections to its electronic band structure.

Structural and mechanical properties

Activation-relaxation technique study of two-level system impact on internal dissipation using DFT-based moment tensor potential

Renaude Girard, Carl Lévesque, Normand Mousseau, and François Schiettekatte

Phys. Rev. Materials 10, 053601 (2026) - Published 6 May, 2026

Global emergent behaviors in extreme mechanics and electronics of diamond

Chang Liu, Quan Li, Yanming Ma, and Changfeng Chen

Phys. Rev. Materials 10, 053602 (2026) - Published 7 May, 2026

Physical scaling laws in dislocation microstructures and avalanches from dislocation dynamics simulations

M. Aissaoui, C. Kahloun, O. U. Salman, and S. Queyreau

Phys. Rev. Materials 10, 053603 (2026) - Published 15 May, 2026

From surface segregation to glass-glass interfaces: Composition, activation-energy landscapes, and strength in CuZr nanoglasses

Aoyan Liang, Emily J. Gurniak, and Paulo S. Branicio

Phys. Rev. Materials 10, 053604 (2026) - Published 21 May, 2026

Electronic structure and elasticity of the Ta-W solid solution

Kareem Abdelmaqsoud, John R. Kitchin, and M. Widom

Phys. Rev. Materials 10, 053605 (2026) - Published 26 May, 2026

Investigating vacancy cluster diffusion mechanisms in FeNiCr concentrated solid solution using the kinetic activation-relaxation technique

Md Mijanur Rahman, Gilles Adjanor, Christophe Domain, and Normand Mousseau

Phys. Rev. Materials 10, 053606 (2026) - Published 27 May, 2026

Development of new methods for materials

Achieving DFT accuracy in short range ordering and stacking fault energy using moment tensor potential for CoCrFeNi and CoCrNi

Mashroor S. Nitol, Artur Tamm, Subah Mubassira, Shuozhi Xu, and Saryu J. Fensin

Phys. Rev. Materials 10, 053801 (2026) - Published 8 May, 2026

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Lijun Wu, Dmitrii Torbunov, Yihui Ren, and Yimei Zhu

Phys. Rev. Materials 10, 053802 (2026) - Published 11 May, 2026

Quantitative convergent beam electron diffraction (QCBED) enables determination of aspherical valence electron (VE) distributions but requires solving a highly nonlinear inverse problem with many parameters, making it time-consuming and difficult to apply to complex systems. Here, the authors introduce a machine-learning framework that replaces traditional refinement. Using a large synthetic CBED dataset generated by Bloch-wave simulations, they train a conditional diffusion model to infer multipole density formalism for VE mapping, from CBED patterns alone. This approach enables practical, high-throughput, and in situ QCBED, opening new opportunities for real-time VE mapping and their correlation with functional responses in quantum materials.

Seamlessly joining length scales: From atomistic thermal graphs to anisotropic continuum conductivity

C. Ugwumadu, D. A. Drabold, and R. M. Tutchton

Phys. Rev. Materials 10, 053804 (2026) - Published 21 May, 2026

From Atoms to Devices: SCACS, Bridging the Longstanding Scale Gap in Heat Transport SCACS (Simulator Collection for Atomic-to-Continuum Scales) is a first-of-its-kind simulation framework that connects atomic-scale material structure directly to device-scale predictions of heat flow. This solves a longstanding problem in science and engineering: how to use atomic-level information to predict the behavior of real materials and devices. Statistical mechanics is a classic example of linking microscopic physics to large-scale properties such as temperature and pressure. In a similar spirit, SCACS links atomic, mesoscopic, and macroscopic descriptions of thermal transport in a continuous and practical way. The method starts from atomistic information, preserves the effects of defects, interfaces, and disorder, and transfers that information into engineering-scale heat-flow simulations. A machine-learning model is used as a computational tool to extend these predictions to much larger systems than would otherwise be practical. The result is a new route for carrying atomic-scale thermal physics into device-scale models, with potential value for designing semiconductors, energy materials, and other technologies where heat management is critical.

Two-dimensional materials

Impact of magnons, defects, and rapid energy migration on the optical properties of the 2D magnet CrPS4

Jacob T. Baillie, Eden Tzanetopoulos, Rachel T. Smith, Rémi Beaulac, and Daniel R. Gamelin

Phys. Rev. Materials 10, 054001 (2026) - Published 1 May, 2026

The layered antiferromagnet CrPS4 offers a compelling platform for exploring strong coupling between optical and magnetic properties in van der Waals magnets. This study provides a new description of excitons and excitonic transitions in CrPS4. The rich fine structure observed at the optical gap by photoluminescence and photoluminescence excitation spectroscopies is shown to be dominated by on-site Cr3+ spin-flip transitions coupled to spin transitions in the surrounding CrPS4 lattice. This coupling generates resolved magnon sidebands reflecting dispersion along the lattice’s linear Cr3+ chains. Rapid exciton diffusion indicates weakly dispersive excitons that are highly susceptible to traps and luminescence activators.

Machine-learned interatomic potential for predictive simulation of MoS2 epitaxy

Emir Bilgili, Nicholas Taormina, Richard Hennig, Simon R. Phillpot, and Youping Chen

Phys. Rev. Materials 10, 054002 (2026) - Published 19 May, 2026

Topological and Dirac materials

Electronic properties of Kagome metal YbV3Sb4: A first-principles study

D. Gurung, Keshav Shrestha, Shalika R. Bhandari, Samy Brahimi, Samir Lounis, and D. P. Rai

Phys. Rev. Materials 10, 054201 (2026) - Published 11 May, 2026

Local electronic states of ordered and disordered Kondo insulator YbB12(001) surfaces

Toshio Miyamachi, Kota Iwata, Takushi Iimori, Shunsuke Yoshizawa, Yoshiyuki Ohtsubo, Takuto Nakamura, Shin-ichi Kimura, Fumitoshi Iga, and Fumio Komori

Phys. Rev. Materials 10, 054202 (2026) - Published 15 May, 2026

Magnetic, ferroelectric, and multiferroic materials

Microscopic study of thermally and electrically driven magnetic changes in La0.7Sr0.3MnO3 films on BaTiO3 substrates

X. Moya, M. Ghidini, F. Maccherozzi, L. C. Phillips, T. I. Polek, D. M. Polishchuk, A. I. Tovstolytkin, S. S. Dhesi, and N. D. Mathur

Phys. Rev. Materials 10, 054401 (2026) - Published 1 May, 2026

It is shown that unexpectedly complex magnetic structures arise in epitaxial manganite films when their substrates undergo thermally driven structural transitions and electrically driven ferroelectric domain switching. This complexity may arise due to long-range strain fields between ferroelectric domains, and the resulting images of vector in-plane magnetization are beautiful. The image shown here is reminiscent of botanical structures. The magnetization in the green ‘leaves’ lies perpendicular to the magnetization in the brown twigs on which they ‘grow’. The ‘twigs’ are straight, and decorate ferroelectric domains in the substrate.

Magnetization process of the layered diluted ferromagnetic semiconductor (Ba,K)(Zn,Mn)2As2 studied by x-ray magnetic circular dichroism

Yuxuan Wan, Guoqiang Zhao, Goro Shibata, Keisuke Ikeda, Masahiro Suzuki, Masaki Kobayashi, Shoya Sakamoto, Zheng Deng, Kan Zhao, Bijuan Chen, Yukiharu Takeda, Tetsuo Okane, Yuji Saitoh, Hiroshi Yamagami, Yasutomo J. Uemura, Changqing Jin, and Atsushi Fujimori

Phys. Rev. Materials 10, 054402 (2026) - Published 4 May, 2026

Crystal growth and magnetic properties of spin-1/2 distorted triangular lattice antiferromagnet CuLa2Ge2O8

S. Thamban, C. Aguilar-Maldonado, S. Chillal, R. Feyerherm, K. Prokeš, A. J. Studer, D. Abou-Ras, K. Karmakar, A. T. M. N. Islam, and B. Lake

Phys. Rev. Materials 10, 054403 (2026) - Published 7 May, 2026

Anion correlation induced nonrelativistic spin splitting in rutile antiferromagnets

Siddhartha S. Nathan, Danilo Puggioni, Linding Yuan, and James M. Rondinelli

Phys. Rev. Materials 10, 054404 (2026) - Published 7 May, 2026

The search for altermagnetic and related materials has largely focused on ideal crystals, overlooking the role of short-range chemical order. Using density functional theory and a cluster expansion model, the authors show that short-range anion correlations in iron oxyfluoride (FeOF) tune the magnitude and character of nonrelativistic spin splitting, producing splittings absent in ordered FeF2 and virtual-crystal approximation models. The authors further identify magneto-optical Kerr spectroscopy as a route to detect these effects experimentally and highlight heteroanionic substitution as a design strategy for high-TN spin-split antiferromagnets.

Origins of the giant magnetoplastic effect in L21-ordered intermetallics

Bailey E. Rhodes, Justin A. Mayer, W. Streit Cunningham, Arda Genc, Solène Comby-Dassonneville, Thomas W. Cornelius, Olivier Thomas, Ram Seshadri, Yolita M. Eggeler, Irene J. Beyerlein, and Daniel S. Gianola

Phys. Rev. Materials 10, 054405 (2026) - Published 8 May, 2026

Low-temperature spin dynamics in lithium aluminum ferrite thin films: From cubic anisotropy to TLS-limited coherence

Srishti Pal, Guanxiong Qu, Hervé M. Carruzzo, Katya Mikhailova, Lerato Takana, Qin Xu, Yuri Suzuki, Clare C. Yu, and Gregory D. Fuchs

Phys. Rev. Materials 10, 054406 (2026) - Published 7 May, 2026

Investigation of thickness dependences of interfacial magnetic properties of (Pt/Co/W)5-based multilayers

R. Sbiaa, W. Fotso, M. G. Hafiz, M. Ramu, N. Tiercelin, S. M. Chérif, A. Lisfi, Y. Roussigné, S. N. Piramanayagam, and M. Belmeguenai

Phys. Rev. Materials 10, 054407 (2026) - Published 11 May, 2026

Magnetic and structural properties of epitaxial Er-substituted yttrium iron garnet films grown by pulsed laser deposition

Lukáš Flajšman, Lars Peeters, Armi Kosunen, Lide Yao, Ionela Lindfors-Vrejoiu, and Sebastiaan van Dijken

Phys. Rev. Materials 10, 054408 (2026) - Published 8 May, 2026

Metamagnetic transitions in Ba2LnFeO5 (Ln = Tb, Dy, Ho, Yb): Spin-flip processes in single or dual easy-axis systems

V. Hardy, F. Guillou, V. Caignaert, F. Veillon, Y. Bréard, B. Raveau, F. Wilhelm, A. Rogalev, and B. Gonano

Phys. Rev. Materials 10, 054409 (2026) - Published 8 May, 2026

Magnetism of single crystalline breathing pyrochlore spinel AgInCr4S8

Andrew F. May, Christopher M. Pasco, V. O. Garlea, Karolina Gornicka, Matthias D. Frontzek, Xiaoping Wang, Pyeongjae Park, and Andrew D. Christianson

Phys. Rev. Materials 10, 054410 (2026) - Published 14 May, 2026

Chromium-based spinels with a breathing pyrochlore lattice provide a model platform for studying competing magnetic interactions arising from their lattice geometry. The authors report the growth of single crystals of AgInCr₄S₈ and note that the observed properties are sensitive to growth conditions, particularly sulfur overpressure. Single-crystal neutron diffraction confirms A-site ordering and reveals an incommensurate magnetic ground state that can be described by a simple helical structure. As single crystals of breathing pyrochlores are rare, this work establishes AgInCr₄S₈ as a model system for future experimental studies. Consideration of cation size trends in related compounds suggests this system lies near the upper limit of A-site ordering stability.

A meta-GGA perspective on the altermagnetism of RuO2

Markus Meinert

Phys. Rev. Materials 10, 054411 (2026) - Published 15 May, 2026

Anisotropic magnetism and Kondo-lattice behavior in the frustrated antiferromagnet Ce3MgBi5

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

Phys. Rev. Materials 10, 054413 (2026) - Published 18 May, 2026

Ce-based intermetallic compounds provide a rich platform for exploring the interplay between geometric frustration, magnetic anisotropy, and Kondo-lattice behavior. Here, the authors report the synthesis and physical characterization of single-crystalline Ce3MgBi5. Combining magnetization, transport, and thermodynamic measurements, the study reveals Kondo-lattice behavior coexisting with frustrated magnetism associated with the distorted kagome-like arrangement of Ce moments. The resulting dome-shaped H–T phase diagram and correlated magnetotransport response establish Ce3MgBi5 as a promising system for studying the interplay between geometric frustration, anisotropic exchange interactions, and Kondo hybridization in Ce-based correlated electron materials.

Evaluation of spin mixing conductance in Co2FeGa0.5Ge0.5/Pt bilayer and the effect of ultrathin Cu, Ni, Ru, Ta, or Cr insertion layers

Madhav M. Bhat, H. Suto, T. T. Sasaki, A. Perumal, A. Srinivasan, and Y. Sakuraba

Phys. Rev. Materials 10, 054414 (2026) - Published 20 May, 2026

Impact of strong electronic correlations on altermagnets: The case of NiS2

Ina Park, Turan Birol, Antoine Georges, and Rafael M. Fernandes

Phys. Rev. Materials 10, 054415 (2026) - Published 20 May, 2026

As a material that undergoes a metal-insulator transition inside the altermagnetic phase, NiS2xSex provides an ideal framework to elucidate the interplay between electronic correlations and altermagnetism. This work disentangles the impact of static and dynamic correlations on altermagnetic properties by systematically comparing DFT, DFT+U, and DFT+DMFT calculations on NiS2xSex. The key result is that dynamical correlations not only modify the magnitude of the spin splitting but also promote a sharp asymmetry in the lifetimes of spin-up and spin-down quasiparticles, which is further amplified by multi-orbital Hund’s correlation effects.

Ba4SbRu3O12: A hexagonal perovskite with isolated magnetic clusters on a geometrically frustrated network

Emma A. Pollock, Rabindranath Bag, Lalit Yadav, Sara Haravifard, and Patrick M. Woodward

Phys. Rev. Materials 10, 054416 (2026) - Published 21 May, 2026

Emergence of a spin Hall topological Hall effect in the noncollinear phase of the ferrimagnetic insulator terbium-iron garnet

Mehak Loyal, Akashdeep Akashdeep, Edoardo Mangini, Edgar Galíndez-Ruales, Maja Eich, Nan Wang, Qianqian Lan, Lei Jin, Rafal Dunin-Borkowski, Timo Kuschel, Mathias Kläui, and Gerhard Jakob

Phys. Rev. Materials 10, 054417 (2026) - Published 21 May, 2026

Ferromagnetic-like behavior emerging from local CoO6 honeycomb motifs in Co-doped NaSbO3 thin films

Hao-Bo Li, Weitao Yan, Shunsuke Kobayashi, Kousuke Ooe, Takahiro Ozawa, Hidefumi Takahashi, Shintaro Ishiwata, Chengchao Zhong, Tong Zhu, Wei-Hua Wang, Hiroshi Takatsu, Hiroshi Kageyama, and Hidekazu Tanaka

Phys. Rev. Materials 10, 054418 (2026) - Published 22 May, 2026

A family of rare-earth diamond chain compounds NaBa3RE3Si6O20 (RE=Nd, Gd-Dy): Synthesis and magnetic characterization

Jin Zhou, Andi Liu, Ritao Huang, Yi Yang, Qinghui Li, Qing Zuo, Langsheng Ling, Jinkui Zhao, Hanjie Guo, and Zhaoming Tian

Phys. Rev. Materials 10, 054419 (2026) - Published 26 May, 2026

Magnetic phase diagram and spin Hamiltonian of antiferromagnet Cs2CoI4

S. D. Nabi, L. Facheris, V. Romerio, V. Kocsis, K. Yu. Povarov, D. Sheptyakov, J. Lass, D. G. Mazzone, H. Kikuchi, T. Masuda, S. A. Barnett, D. R. Allan, Z. Yan, S. Gvasaliya, and A. Zheludev

Phys. Rev. Materials 10, 054420 (2026) - Published 29 May, 2026

The S=3/2 compound Cs2CoI4 is a new member of the celebrated family of frustrated magnets Cs2MX4 (M = transition metal ion; X = halogen or oxygen). Thermodynamic and neutron scattering measurements reveal a complex magnetic phase diagram and excitation spectrum markedly different from related compounds. A structural phase transition is central to understanding this behavior. Based on the solved low-temperature crystal structure, a spin Hamiltonian is constructed that captures the observed spin dynamics and provides a qualitative understanding of the phase diagram.

Semiconducting materials

Machine learning approach for rapid sample screening in near-surface InAs quantum wells

Patrick J. Strohbeen, Abtin Abbaspour, Amara Keita, Tarek Nabih, Aliona Lejuste, Krishna Dindial, Andrea Maiani, Alisa Danilenko, Ido Levy, Jacob Issokson, Tyler Cowan, William M. Strickland, Mehdi Hatefipour, Ashley Argueta, Lukas J. Baker, Melissa Mikalsen, and Javad Shabani

Phys. Rev. Materials 10, 054601 (2026) - Published 11 May, 2026

Importance of finite-size corrections for accurate ab initio modeling of carrier capture at semiconductor defects: A case study of substitutional CN in GaN

S. R. Lee, N. A. Modine, and W. R. Wampler

Phys. Rev. Materials 10, 054602 (2026) - Published 12 May, 2026

Hydrogen trapping and passivation of intrinsic acceptor defects in the CuInSe2 chalcopyrite

A. G. Marinopoulos and R. C. Vilão

Phys. Rev. Materials 10, 054603 (2026) - Published 19 May, 2026

Electronic structure and spin-to-charge conversion in the chalcopyrite CdGeAs2

N. Tarakameh Samani, F. Scali, C. Zucchetti, N. Mignani, F. Mazzola, I. Vobornik, J. Fujii, K. Raju, S. Mani, R. Sankar, M. Puppin, F. Ciccacci, M. Finazzi, E. Carpene, C. Dallera, F. Bottegoni, and A. Crepaldi

Phys. Rev. Materials 10, 054604 (2026) - Published 21 May, 2026

Superconducting materials

Superconductivity in hard nitride cP6-WN

Xuefeng Zhou, Chenglu Huang, Jian Chen, Qinchuan Zhang, Chao Gu, Liusuo Wu, Bin Chen, Yusheng Zhao, and Shanmin Wang

Phys. Rev. Materials 10, 054801 (2026) - Published 18 May, 2026

Stabilization of a nonsuperconducting, orthorhombic phase by overhydrogenating LaFeSiH

M. F. Hansen, C. Lepoittevin, J.-B. Vaney, P. Boullay, V. Nassif, A. Sulpice, H. Mayaffre, M.-H. Julien, S. Tencé, and P. Toulemonde

Phys. Rev. Materials 10, 054802 (2026) - Published 26 May, 2026

Discovery of interpretable Tc descriptors in conventional superconductors guided by symbolic regression

Fang Han Lim, Jinbo Pan, and Shixuan Du

Phys. Rev. Materials 10, 054803 (2026) - Published 22 May, 2026

A century after the discovery of superconductivity, the search for new superconductors still relies largely on trial and error, challenging researchers to identify the universal design principles that govern why certain materials superconduct at higher temperatures. Here, the authors introduce an interpretable, data-driven approach that pairs Random Forest screening with SISSO symbolic regression to reveal fundamental “material genes” governing Tc in conventional BCS superconductors. Unlike black-box predictors, this study reveals physically meaningful relationships that provide actionable guideline for high Tc: a near half-filled d-orbital per atom combined with moderate heterogeneity in unfilled orbitals.

Other electronic materials

Size effects on the resistivity of metallic thin films: A combined analysis of temperature and thickness dependences

Victor Haspot, Yunlin Zheng, Denis Guimard, Hervé Montigaud, and Rémi Lazzari

Phys. Rev. Materials 10, 055001 (2026) - Published 7 May, 2026

Structural modulation, physical properties, and electronic band structure of the kagome metal UCr6Ge6

Z. W. Riedel, P. A. E. Murgatroyd, C. S. Kengle, P. M. T. Vianez, A. Schmidt, X. Du, K. Allen, T. K. Kim, C. Lane, Ying Wai Li, Jian-Xin Zhu, J. D. Thompson, F. Ronning, S. M. Thomas, P. F. S. Rosa, and E. D. Bauer

Phys. Rev. Materials 10, 055002 (2026) - Published 11 May, 2026

Mass enhancement and lone-pair-driven structural distortion in PbCu3V4O12

Ruifeng Tian, Jie Chen, Zhiyan Shao, Feng Wu, Jiayi Guan, Wei Wu, Wanli He, Yuanzhe Li, Yuemei Li, Jin-Ming Chen, Zhiwei Hu, Pengda Ye, Yuxiang Chen, Jiayi Han, Hua Zhang, Baoshan Song, Alexei A. Belik, Yanfeng Guo, Meiling Jin, Jiabin Qiao, Fan Yang, and Xiang Li

Phys. Rev. Materials 10, 055003 (2026) - Published 26 May, 2026

Metamaterials, optical, photonic, and plasmonic materials

Suppression of vacancy clustering in nonequiatomic NiFeMnCrAl high-entropy alloys

Xiaoyu Gui, Xudong An, Kenichiro Mizohata, Ilja Makkonen, Roger Castellote-Alvarez, Wenyi Huo, Isaac Toda-Caraballo, David San-Martin, Filip Tuomisto, and Eryang Lu

Phys. Rev. Materials 10, 055201 (2026) - Published 26 May, 2026

Materials for energy harvesting, storage, and generation

Generalizable machine-learned interatomic potential for all-inorganic halide double perovskites

Zachary J. L. Bare, Nima Karimitari, John T. Barber, Charles B. Musgrave, and Christopher Sutton

Phys. Rev. Materials 10, 055401 (2026) - Published 1 May, 2026

Materials for catalysis and electrochemistry

Thermodynamic and electronic properties of the solid Na2OMoO3UO3 system: A combined experimental and first-principles study

Gleb Chichevatov, Sergei Artobolevskii, Ilya Taydakov, Liubov Podrezova, and Vladimir Stegailov

Phys. Rev. Materials 10, 055801 (2026) - Published 1 May, 2026

Materials for Quantum Technologies

Beyond diamond: Interpretable machine learning reveals design principles for quantum defect host materials

Mohammed Mahshook and Rudra Banerjee

Phys. Rev. Materials 10, 056201 (2026) - Published 11 May, 2026

Suppression of auxetic behavior in black phosphorus with sulfur substitution

Hayden Groeschel, Arjyama Bordoloi, and Sobhit Singh

Phys. Rev. Materials 10, 056202 (2026) - Published 11 May, 2026

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