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HIGHLIGHTED ARTICLES

Superhard refractory high-entropy diborides

M. D. Hossain, N. S. McIlwaine, N. O. Marquez-Rios, A. C. Feltrin, V. Chawla, R. A. Mayanovic, W. G. Fahrenholtz, D. Penumadu, E. Zurek, D. W. Brenner, D. E. Wolfe, S. Divilov, H. Eckert, S. Curtarolo, and J.-P. Maria

Phys. Rev. Materials 10, 033604 (2026) - Published 10 March, 2026

Materials with exceptional hardness are essential for technologies operating under extreme conditions, including cutting tools, protective armors, hypersonics, and nuclear energy systems. The design of such materials remains challenging because hardness is controlled not only by atomic-scale bonding but also by micro- and macroscopic defects within the material. In this work, we investigate high-entropy diborides as a new class of superhard refractory ceramics that incorporate multiple transition metals into a single crystal structure. By integrating computational modeling with synthesis and mechanical properties characterization, we establish clear design principles that connect elemental selection, bonding characteristics, and hardness. These results provide a practical framework for engineering next-generation superhard ceramics for extreme engineering applications.

Strain-induced reconstruction in two-dimensional silver intercalated between graphene and SiC

Van Dong Pham, Boyang Zheng, Arpit Jain, Chengye Dong, Li-Syuan Lu, Zachary W. Henshaw, William H. Blades, Joshua A. Robinson, Vincent H. Crespi, Achim Trampert, and Roman Engel-Herbert

Phys. Rev. Materials 10, 034003 (2026) - Published 13 March, 2026

When confined between graphene and the SiC substrate, metals do not always form an ideal epitaxial layer. Cryogenic scanning tunneling microscopy combined with density functional theory reveals how such non-ideal confinement governs the structural and electronic properties of monolayer silver. Instead of forming a uniform layer, competing interactions between silver-SiC bonding and silver-silver interatomic force cause silver to reconstruct, forming a one-dimensional Frenkel-Kontorova domain to partially relieve tensile strain. The reconstruction strongly modulates the electronic density of states and induces a state at ~0.75 eV above the Fermi level, highlighting the key role of substrate-mediated effects at confined interfaces.

Charge correlations and magnetoelastic coupling in intercalated transition metal dichalcogenides

A. Kar et al.

Phys. Rev. Materials 10, 034006 (2026) - Published 23 March, 2026

Intercalating magnetic atoms into layered transition metal dichalcogenides provides a powerful route to engineer intertwined electronic and magnetic states. Using angle-resolved photoemission, X-ray scattering, magnetometry, and first-principles calculations, we uncover the origin of charge correlations in Fe- and Co-intercalated TaS₂ and NbS₂. While Ta-based compounds exhibit only short-range charge fluctuations, Fe₀.₃₅NbS₂ develops long-range charge order concomitant with antiferromagnetism and enhanced by magnetic field. By ruling out Fermi-surface nesting and conventional electron–phonon coupling, we show that this charge order is stabilized by strong magnetoelastic coupling, establishing magnetic intercalation as a route to tune spin-lattice-charge entanglement in van der Waals materials.

Compensated ferrimagnetic Heusler alloys: A search for the forgotten Neel's L-type ferrimagnet

Gerhard H. Fecher, Shogo Yamashita, Esita Pandey, Atsufumi Hirohata, and Claudia Felser

Phys. Rev. Materials 10, 034403 (2026) - Published 3 March, 2026

In the middle of the last century, Nèel predicted the existence of a special type of ferrimagnet with vanishing magnetization: the L-type ferrimagnet. This fully compensated ferrimagnet differs from antiferromagnets in that its magnetic sublattices have different spin densities. Ab initio calculations reveal that certain Heusler alloys exhibit Nèel’s compensated ferrimagnetism in addition to half-metallic behavior. This means they possess a fully spin-polarized electronic structure, favorable for spintronics. Spin dynamics calculations demonstrate how to stabilize the vanishing magnetization at higher temperatures by altering the stoichiometry of the alloys.

Depth-resolved amorphization and nonuniformity in square-planar nickelate films

Purnima P. Balakrishnan, Maria Bambrick-Santoyo, Lin Er Chow, Dan Ferenc Segedin, Mythili Surendran, Ranjan K. Patel, Paige E. Quarterman, Shin Muramoto, Grace A. Pan, Zhaoyang Luo, Michael R. Fitzsimmons, Amanda Huon, Timothy R. Charlton, Christy J. Kinane, Andrew J. Caruana, Hui Wu, Charles M. Brooks, Qi Song, Hanjong Paik, Srimanta Middey, Jayakanth Ravichandran, A. Ariando, Julia A. Mundy, and Alexander J. Grutter

Phys. Rev. Materials 10, 034801 (2026) - Published 31 March, 2026

Superconducting nickelate films are typically fabricated via post-processing of a parent perovskite or Ruddlesden-Popper film, most commonly a high-temperature anneal in the presence of a strong reducing agent such as CaH2, which removes oxygen from the apical sites and facilitates a topotactic transformation to the superconducting phase. Achieving uniform and highly crystalline reduced films has posed a longstanding fabrication challenge. Using neutron reflectometry and SIMS, the authors reveal the interplay between reduction conditions, vertical uniformity, defect distribution, and amorphization of the film. They find evidence for decreased amorphization near the film/substrate interface and competition between crystal quality and vertical uniformity.

Inverse Bauschinger to Bauschinger crossover under steady shear in amorphous solids

Rashmi Priya and Smarajit Karmakar

Phys. Rev. Materials 10, 035604 (2026) - Published 18 March, 2026

The stress response of a previously sheared amorphous material retains a memory of its prior deformation. This Bauschinger effect manifests as a softening upon shear reversal. Understanding such memory effects provides insights into amorphous rheology. This study reveals that amorphous materials display a previously unrecognized crossover from an inverse to the conventional Bauschinger effect, governed by glass stability, strain history, and shear rate. The resulting phase diagram points to a richer, partially reversible memory landscape. Microscopically, this crossover is rooted in the healing of shear-band networks, establishing local plastic healing as a generic mechanism for memory reversal in disordered solids.

Skyrmionium metamatter: A topologically heterogeneous magnetic crystal with emergent hybrid dynamics

Andrey O. Leonov and Kaito Nakamura

Phys. Rev. Materials 10, 036001 (2026) - Published 2 March, 2026

This work introduces a paradigm of magnetic meta-matter in which topological chiral solitons—such as skyrmions and skyrmioniums—serve as distinct “atomic” species. In this framework, matter is defined not by chemical elements but by emergent, topologically protected building blocks. By arranging these solitonic units into ordered compound lattices, the resulting meta-matter can be engineered to exhibit well-defined stoichiometries, symmetry classes, and polymorphs, directly mirroring the principles of conventional materials design. Structural transformations between polymorphs enable reconfigurability at the quasiparticle level, establishing solitonic crystals as a fundamentally new form of designed matter with programmable collective behavior and broad potential for next-generation magnonic and spintronic technologies.

LETTERS

Crystal growth, crystallization, and kinetics

Ab initio modeling of morphology with experimental comparison in a nanoscale heterostructure

Sreejith Pallikkara Chandrasekharan, Sofia Apergi, Chen Wei, Federico Panciera, Laurent Travers, Gilles Patriarche, Jean-Christophe Harmand, Laurent Pedesseau, and Charles Cornet

Phys. Rev. Materials 10, L030401 (2026) - Published 9 March, 2026

Topological and Dirac materials

Magnetotransport in topological materials and nonlinear Hall effect via first-principles electronic interactions and band topology

Dhruv C. Desai, Lauren A. Tan, Jin-Jian Zhou, Shiyu Peng, Jinsoo Park, and Marco Bernardi

Phys. Rev. Materials 10, L031201 (2026) - Published 23 March, 2026

Accessing quasiflat f bands to harvest large Berry curvature in NdGaSi

Anyesh Saraswati, Jyotirmoy Sau, Vera Misheneva, Rui Lou, Sudipta Chatterjee, Sandip Kumar Kuila, Bibhas Ghanta, Anup Kumar Bera, Partha Pratim Jana, Alexander Fedorov, Setti Thirupathaiah, Manoranjan Kumar, and Nitesh Kumar

Phys. Rev. Materials 10, L031202 (2026) - Published 26 March, 2026

ARTICLES

Crystal growth, crystallization, and kinetics

Effect of doping and lattice dynamics in competing structural phases of LaSb2

Jinwoong Kim, Reiley Dorrian, Adrian Llanos, Joseph Falson, and Nicholas Kioussis

Phys. Rev. Materials 10, 033401 (2026) - Published 17 March, 2026

Structural and mechanical properties

Adsorbate effects on ductile-brittle transition in crystals

Anirudh Udupa, Koushik Viswanathan, Debapriya Pinaki Mohanty, Tatsuya Sugihara, Ronald Latanision, and Srinivasan Chandrasekar

Phys. Rev. Materials 10, 033601 (2026) - Published 2 March, 2026

Density functional theory-informed design of radiation-resistant dilute ternary Cu alloys

Vaibhav Vasudevan, Thomas Schuler, Pascal Bellon, and Robert Averback

Phys. Rev. Materials 10, 033602 (2026) - Published 2 March, 2026

Structural evolution of the Fe-Si binary system under extreme pressure

Bingxin Wu, Zepeng Wu, Peng Chen, Nan Huang, Tie-Yu Lü, Xinrui Cao, Yang Sun, Zi-Zhong Zhu, and Shunqing Wu

Phys. Rev. Materials 10, 033603 (2026) - Published 2 March, 2026

Superhard refractory high-entropy diborides

M. D. Hossain, N. S. McIlwaine, N. O. Marquez-Rios, A. C. Feltrin, V. Chawla, R. A. Mayanovic, W. G. Fahrenholtz, D. Penumadu, E. Zurek, D. W. Brenner, D. E. Wolfe, S. Divilov, H. Eckert, S. Curtarolo, and J.-P. Maria

Phys. Rev. Materials 10, 033604 (2026) - Published 10 March, 2026

Materials with exceptional hardness are essential for technologies operating under extreme conditions, including cutting tools, protective armors, hypersonics, and nuclear energy systems. The design of such materials remains challenging because hardness is controlled not only by atomic-scale bonding but also by micro- and macroscopic defects within the material. In this work, we investigate high-entropy diborides as a new class of superhard refractory ceramics that incorporate multiple transition metals into a single crystal structure. By integrating computational modeling with synthesis and mechanical properties characterization, we establish clear design principles that connect elemental selection, bonding characteristics, and hardness. These results provide a practical framework for engineering next-generation superhard ceramics for extreme engineering applications.

Metallic boron allotropes

Zhenxian Wang, Ying Xu, Siqi Xu, Zhuhua Zhang, and Wanlin Guo

Phys. Rev. Materials 10, 033605 (2026) - Published 11 March, 2026

Crack initiation and propagation in magnesium-lithium alloys: Revealed by machine learning potential

Yincan Sun, Zhigang Ding, Jincheng Kan, Yonghao Zhao, Shuang Li, and Xiang Chen

Phys. Rev. Materials 10, 033606 (2026) - Published 12 March, 2026

Electron-irradiation induced creep in amorphous alloys

Sourav Das, Gowtham Sriram Jawaharram, Robert S. Averback, and Shen J. Dillon

Phys. Rev. Materials 10, 033607 (2026) - Published 17 March, 2026

Microstructure-based modeling of material parameter calibration and damage evolution in SiCp/Al composites

Guoju Li, Xi Wu, Yuexiang Zhang, Yu Fan, and Xinzhe Zhang

Phys. Rev. Materials 10, 033608 (2026) - Published 20 March, 2026

Development of new methods for materials

A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence

Ling Lan, Qiang Du, and Simon J. L. Billinge

Phys. Rev. Materials 10, 033801 (2026) - Published 3 March, 2026

Stochastic ion emission perturbation mechanisms in atom probe tomography: Linking simulations to experiment

Aslam Shaikh, Tero Mäkinen, François Vurpillot, Mikko Alava, and Ivan Lomakin

Phys. Rev. Materials 10, 033802 (2026) - Published 3 March, 2026

Ab initio theory of electron drag and wind forces on dislocations: Bridging quantum transport and electroplasticity

Beñat Gurrutxaga-Lerma

Phys. Rev. Materials 10, 033803 (2026) - Published 18 March, 2026

Direct chemical discrimination at step edges and kink sites of sodium chloride by nc-AFM with an oxygen-terminated copper tip

Philipp Wiesener, Saeed Amirjalayer, and Harry Mönig

Phys. Rev. Materials 10, 033804 (2026) - Published 19 March, 2026

Scalable learning of macroscopic stochastic dynamics

Mengyi Chen, Pengru Huang, Kostya S. Novoselov, and Qianxiao Li

Phys. Rev. Materials 10, 033805 (2026) - Published 20 March, 2026

Macroscopic dynamical descriptions are essential for understanding and controlling complex material behavior, yet deriving them from microscopic simulations remains computationally prohibitive for spatially extended stochastic systems. To address this challenge, the authors propose a machine-learning framework that learns large-scale macroscopic dynamics using only small-system simulations. The method uses a partial evolution scheme to generate training data within local patches, a tailored loss to learn the macroscopic dynamics, and a hierarchical upsampling strategy to efficiently construct large-system configurations. Across stochastic PDEs, lattice spin models, and an NbMoTa alloy system, the framework demonstrates high accuracy, robustness, and computational efficiency.

AI-driven design of poly(ethylene terephthalate) replacement copolymers

Chiho Kim, Wei Xiong, Akhlak Mahmood, Rampi Ramprasad, and Huan Tran

Phys. Rev. Materials 10, 033806 (2026) - Published 23 March, 2026

A widely used thermoplastic, poly(ethylene terephthalate) (PET), faces increasing environmental and regulatory pressure, motivating the search for viable alternatives. Here, the authors present an AI-driven polymer design pipeline implemented using the PolymRize. The framework combines virtual forward synthesis with machine learning to generate PET-replacement copolymers. Inspired by the esterification route of PET synthesis, more than 12,000 candidate polymers were systematically constructed from TSCA-listed monomers. ML models predicted glass transition temperature, bandgap, and crystallization tendency to enable multi-objective screening. The approach rediscovered known PET alternatives and identified previously unknown candidates, several of which were synthesized and experimentally validated.

Two-dimensional materials

Subdegree twisting in bilayer SnTe films enables a large polarization switching

Tengang Liu, Hao Guo, Xianjiang Qin, Boyu Zuo, Haidong Fan, Xiandong Zhou, and Xiaobao Tian

Phys. Rev. Materials 10, 034001 (2026) - Published 3 March, 2026

Atmospheric water and graphite lubrication: Insights into surface intercalation and nanoscale confined spaces

Y. W. Sun, T. Leiner, D. Gehringer, C. J. Humphreys, D. J. Dunstan, and D. Holec

Phys. Rev. Materials 10, 034002 (2026) - Published 5 March, 2026

Strain-induced reconstruction in two-dimensional silver intercalated between graphene and SiC

Van Dong Pham, Boyang Zheng, Arpit Jain, Chengye Dong, Li-Syuan Lu, Zachary W. Henshaw, William H. Blades, Joshua A. Robinson, Vincent H. Crespi, Achim Trampert, and Roman Engel-Herbert

Phys. Rev. Materials 10, 034003 (2026) - Published 13 March, 2026

When confined between graphene and the SiC substrate, metals do not always form an ideal epitaxial layer. Cryogenic scanning tunneling microscopy combined with density functional theory reveals how such non-ideal confinement governs the structural and electronic properties of monolayer silver. Instead of forming a uniform layer, competing interactions between silver-SiC bonding and silver-silver interatomic force cause silver to reconstruct, forming a one-dimensional Frenkel-Kontorova domain to partially relieve tensile strain. The reconstruction strongly modulates the electronic density of states and induces a state at ~0.75 eV above the Fermi level, highlighting the key role of substrate-mediated effects at confined interfaces.

Vacancies and adatoms unlock reactivity in 2H-TiBr2 monolayers

André L. de O. Batista, João Marcos T. Palheta, Emanuel J. A. Santos, Carlos Maciel O. Bastos, Luiz A. Ribeiro Júnior, Diego Guedes-Sobrinho, Celso R. C. Rêgo, Maurício J. Piotrowski, and Alexandre C. Dias

Phys. Rev. Materials 10, 034004 (2026) - Published 17 March, 2026

Chirality-modulated anomalous transport properties in monolayer FeZrCl6

Xinyu Peng, Jiaqi Feng, Xiuxian Yang, Jian Hao, Tingbo Zhang, Caoping Niu, Xiaodong Zhou, and Yinwei Li

Phys. Rev. Materials 10, 034005 (2026) - Published 23 March, 2026

Charge correlations and magnetoelastic coupling in intercalated transition metal dichalcogenides

A. Kar et al.

Phys. Rev. Materials 10, 034006 (2026) - Published 23 March, 2026

Intercalating magnetic atoms into layered transition metal dichalcogenides provides a powerful route to engineer intertwined electronic and magnetic states. Using angle-resolved photoemission, X-ray scattering, magnetometry, and first-principles calculations, we uncover the origin of charge correlations in Fe- and Co-intercalated TaS₂ and NbS₂. While Ta-based compounds exhibit only short-range charge fluctuations, Fe₀.₃₅NbS₂ develops long-range charge order concomitant with antiferromagnetism and enhanced by magnetic field. By ruling out Fermi-surface nesting and conventional electron–phonon coupling, we show that this charge order is stabilized by strong magnetoelastic coupling, establishing magnetic intercalation as a route to tune spin-lattice-charge entanglement in van der Waals materials.

Electronic coherence evolution at the nearly commensurate-incommensurate CDW boundary of 1TTaS2

Turgut Yilmaz, Yi Sheng Ng, Menka Jain, Xiao Tong, Thipusa Wongpinij, Pat Photongkam, Anil Rajapitamahuni, Asish K. Kundu, Jin-Cheng Zheng, and Elio Vescovo

Phys. Rev. Materials 10, 034007 (2026) - Published 30 March, 2026

High-pressure synthesis of an arsenopyrite-type polymorph of ReS2 recoverable to ambient conditions

Umbertoluca Ranieri, Simone Di Cataldo, James Spender, and Dominique Laniel

Phys. Rev. Materials 10, 034008 (2026) - Published 30 March, 2026

Topological and Dirac materials

Bi2Se3-based axion insulator as a platform for topological magnetoelectric and quantum anomalous Hall effects

Tatiana V. Menshchikova, Igor P. Rusinov, Evgueni K. Petrov, and Evgueni V. Chulkov

Phys. Rev. Materials 10, 034201 (2026) - Published 6 March, 2026

Topology, electric field induced Rashba effect and metal-insulator transition: A case study with bulk and nanostructured layered Zintl compound, KCdBi

Sweta Ghosh, Sudipta Kanungo, and Tanusri Saha Dasgupta

Phys. Rev. Materials 10, 034202 (2026) - Published 24 March, 2026

Magnetic, ferroelectric, and multiferroic materials

Identification of ferroelectric HfZrO2 from the distinct signature of O 1s spectra in polar and non-polar sublattices

Marius Adrian Husanu, Lucian Dragos Filip, Cristina Florentina Chirila, and Dana Georgeta Popescu

Phys. Rev. Materials 10, 034401 (2026) - Published 2 March, 2026

Temperature and magnetic field dependent grain boundary structures in skyrmion lattices via a quasiparticle-based mechanism

Kohta Kasai, Chang Liu, Akihiro Uematsu, Tatsuki Kawakane, Tao Xu, Yu Wang, Susumu Minami, and Takahiro Shimada

Phys. Rev. Materials 10, 034402 (2026) - Published 2 March, 2026

Compensated ferrimagnetic Heusler alloys: A search for the forgotten Neel's L-type ferrimagnet

Gerhard H. Fecher, Shogo Yamashita, Esita Pandey, Atsufumi Hirohata, and Claudia Felser

Phys. Rev. Materials 10, 034403 (2026) - Published 3 March, 2026

In the middle of the last century, Nèel predicted the existence of a special type of ferrimagnet with vanishing magnetization: the L-type ferrimagnet. This fully compensated ferrimagnet differs from antiferromagnets in that its magnetic sublattices have different spin densities. Ab initio calculations reveal that certain Heusler alloys exhibit Nèel’s compensated ferrimagnetism in addition to half-metallic behavior. This means they possess a fully spin-polarized electronic structure, favorable for spintronics. Spin dynamics calculations demonstrate how to stabilize the vanishing magnetization at higher temperatures by altering the stoichiometry of the alloys.

Ultrathin bismuth-yttrium iron garnet films with tunable magnetic anisotropy

Hanchen Wang, William Legrand, Davit Petrosyan, Min-Gu Kang, Emir Karadža, Hiroki Matsumoto, Richard Schlitz, Michaela Lammel, Myriam H. Aguirre, and Pietro Gambardella

Phys. Rev. Materials 10, 034404 (2026) - Published 3 March, 2026

Structure and magnetism of MnGe thin films grown with a nonmagnetic CrSi template

B. D. MacNeil, J. S. R. McCoombs, D. Kalliecharan, J. Myra, M. Pula, J. F. Britten, G. B. G. Stenning, K. Gupta, G. M. Luke, and T. L. Monchesky

Phys. Rev. Materials 10, 034405 (2026) - Published 3 March, 2026

Anomalous Hall effect in a near room-temperature soft ferromagnet AlFe2B2

Xinxuan Lin, Yuansheng Bu, Jiawei Li, Shuyue Guan, Hongming Weng, and Shuang Jia

Phys. Rev. Materials 10, 034406 (2026) - Published 6 March, 2026

Quasistatic reorientation of ferromagnetic nematic colloids in a slowly rotating magnetic field

Pinaki Kundu, Peter Marinko, Darja Lisjak, Shivaraja S. J., Simon Čopar, and Surajit Dhara

Phys. Rev. Materials 10, 034407 (2026) - Published 10 March, 2026

Nonlinear phononics in rare-earth orthoferrites

O. Y. Kovalenko, R. M. Dubrovin, R. V. Pisarev, A. V. Kimel, A. M. Kalashnikova, and R. V. Mikhaylovskiy

Phys. Rev. Materials 10, 034408 (2026) - Published 16 March, 2026

Finite-temperature ferroelectric phase transitions from machine-learned force fields

Kristoffer Eggestad, Ida C. Skogvoll, Øystein Gullbrekken, Benjamin A. D. Williamson, and Sverre M. Selbach

Phys. Rev. Materials 10, 034409 (2026) - Published 16 March, 2026

Machine-learned force fields (MLFFs) can bring first-principles accuracy to finite-temperature molecular dynamics for materials simulations. Here, the authors use MLFFs, trained on-the-fly using only ground-state structures, to predict phase transitions in the prototypical ferroelectrics BaTiO3, PbTiO3, LiNbO3, and BiFeO3. Order parameter discontinuities, mixed order–disorder and displacive character, and space groups are correctly predicted, while exact transition temperatures are functional-dependent. This demonstrates both the promise and current limitations of MLFFs for simulating the thermal evolution of materials, where long-range electrostatic interactions and collective lattice instabilities are imperative to the physics and phase transitions. Ferroelectrics thus constitute a stringent testbed for MLFFs.

Lattice vacancy migration barriers in Fe-Ni alloys, and an indication as to why Ni atoms diffuse slowly: A first-principles study

Adam M. Fisher, Christopher D. Woodgate, Xiaoyu Zhang, George C. Hadjipanayis, Laura H. Lewis, and Julie B. Staunton

Phys. Rev. Materials 10, 034410 (2026) - Published 17 March, 2026

Electric-field-induced generation of spin waves in antiferromagnetic films with voltage-controlled magnetic anisotropy

Alla M. Poletaeva, Andrei I. Nikitchenko, and Nikolay A. Pertsev

Phys. Rev. Materials 10, 034411 (2026) - Published 23 March, 2026

Magnetic moments evolution in (Mn,Fe)2(P,Si) single crystals from x-ray emission spectroscopy

H. Yibole, L. Shanshan, B. Narsu, F. Guillou, B. Detlefs, P. Glatzel, W. Hanggai, A. Kiecana, N. H. van Dijk, and E. Brück

Phys. Rev. Materials 10, 034412 (2026) - Published 23 March, 2026

CoRuTiGe: A possible spin gapless semiconductor

Ravinder Kumar, Tufan Roy, Baisali Ghadai, Rakesh Kumar, Sucheta Mondal, Anil Kumar, Archana Lakhani, Devendra Kumar, Masafumi Shirai, and Sachin Gupta

Phys. Rev. Materials 10, 034413 (2026) - Published 26 March, 2026

Direct determination of local exchange stiffness in M-type ferrites via domain-wall analysis with tilt-scan-averaged DPC STEM

Yoshiki O. Murakami, Takehito Seki, Yoshinori Kobayashi, Tsunehiro Kawata, and Naoya Shibata

Phys. Rev. Materials 10, 034414 (2026) - Published 26 March, 2026

Exchange stiffness is a fundamental micromagnetic parameter, yet its value in hard ferrites has remained uncertain due to the limitations of traditional thin-film spin-wave experiments. In this work, the authors utilize tilt-scan-averaged differential phase-contrast STEM to directly measure 180 domain-wall widths in Sr-based and Ca-La-Co-based M-type ferrites. By combining these real-space measurements with bulk anisotropy constants, the authors quantify local exchange stiffness with high precision. This approach reveals that variations in domain-wall width are driven by magnetocrystalline anisotropy rather than changes in exchange stiffness, providing a powerful new tool for mapping magnetic properties at the nanoscale within complex microstructures.

Tunable magnetic transition and electronic structure in monolayer iron trihalides FeX3 (X=F, Cl, Br, I)

Yuchen Lei, Wenting Wu, Qian Wan, Hongwei Bao, Jia Wu, Fei Ma, and Yan Li

Phys. Rev. Materials 10, 034415 (2026) - Published 31 March, 2026

Hole-doping reduces the coercive field in ferroelectric hafnia

Pravan Omprakash, Gwan Yeong Jung, Guodong Ren, and Rohan Mishra

Phys. Rev. Materials 10, 034416 (2026) - Published 31 March, 2026

Semiconducting materials

Point defects and impurities in fluorite PuO2

Andrew J. E. Rowberg, Kyoung E. Kweon, and Scott B. Donald

Phys. Rev. Materials 10, 034601 (2026) - Published 16 March, 2026

Superconducting materials

Depth-resolved amorphization and nonuniformity in square-planar nickelate films

Purnima P. Balakrishnan, Maria Bambrick-Santoyo, Lin Er Chow, Dan Ferenc Segedin, Mythili Surendran, Ranjan K. Patel, Paige E. Quarterman, Shin Muramoto, Grace A. Pan, Zhaoyang Luo, Michael R. Fitzsimmons, Amanda Huon, Timothy R. Charlton, Christy J. Kinane, Andrew J. Caruana, Hui Wu, Charles M. Brooks, Qi Song, Hanjong Paik, Srimanta Middey, Jayakanth Ravichandran, A. Ariando, Julia A. Mundy, and Alexander J. Grutter

Phys. Rev. Materials 10, 034801 (2026) - Published 31 March, 2026

Superconducting nickelate films are typically fabricated via post-processing of a parent perovskite or Ruddlesden-Popper film, most commonly a high-temperature anneal in the presence of a strong reducing agent such as CaH2, which removes oxygen from the apical sites and facilitates a topotactic transformation to the superconducting phase. Achieving uniform and highly crystalline reduced films has posed a longstanding fabrication challenge. Using neutron reflectometry and SIMS, the authors reveal the interplay between reduction conditions, vertical uniformity, defect distribution, and amorphization of the film. They find evidence for decreased amorphization near the film/substrate interface and competition between crystal quality and vertical uniformity.

Other electronic materials

Oxide-ion transport at low and high electric fields in brownmillerite Sr2Fe2O5 and perovskite SrFeO2.5: A molecular dynamics study

Sonja Ambaum, Stine Spinger, and Roger A. De Souza

Phys. Rev. Materials 10, 035001 (2026) - Published 3 March, 2026

T-square electric resistivity and its thermal counterpart in RuO2

Yu Ling, Florent Pawula, Ramzy Daou, Benoît Fauqué, and Kamran Behnia

Phys. Rev. Materials 10, 035002 (2026) - Published 12 March, 2026

Materials for energy harvesting, storage, and generation

Cooperation of oxygen doping and nitrogen vacancies in graphitic carbon nitride via high-pressure and high-temperature strategy for enhanced photocatalytic H2 evolution

Tingcha Wei, Yonglei Feng, Jiaying Liao, Xinyu He, Xiu Cao, Jianing Xu, Si Zhou, and Jijun Zhao

Phys. Rev. Materials 10, 035401 (2026) - Published 5 March, 2026

Effect of protons on polaron mobility in transition metal oxides

Pjotrs Žguns and Bilge Yildiz

Phys. Rev. Materials 10, 035402 (2026) - Published 9 March, 2026

Understanding polaron mobility in transition metal oxides is essential for advancing materials in proton-based electrochemical random access memory (ECRAM) neuromorphic devices. Using first-principles calculations, the authors quantify how protons affect polaron migration barriers in promising ECRAM channel materials WO3, V2O5, and MoO3. Beyond electrostatic attraction, which promotes proton-polaron pairing and increases migration barriers, protons also influence polaron transport directionality. By forming hydrogen bonds that distort metal-oxygen-metal linkages, they affect orbital overlap between metal sites and modulate migration barriers along these pathways. These results highlight a nontrivial role of protons in polaron transport and provide guidance for designing energy-efficient electrochemical devices.

Soft, molecular, and amorphous materials

Ring structure analysis in calcium aluminophosphate glasses

Amirhossein F. Firooz, Christophe A. N. Biscio, Anders K. R. Christensen, Søren S. Sørensen, N. M. Anoop Krishnan, and Morten M. Smedskjaer

Phys. Rev. Materials 10, 035601 (2026) - Published 2 March, 2026

Interpretability of linear regression models of glassy dynamics

Anand Sharma, Chen Liu, Misaki Ozawa, and Daniele Coslovich

Phys. Rev. Materials 10, 035602 (2026) - Published 2 March, 2026

Orientational ordering benefits nanorod sonication

Zornitza P. Tosheva and Jan P. F. Lagerwall

Phys. Rev. Materials 10, 035603 (2026) - Published 9 March, 2026

Inverse Bauschinger to Bauschinger crossover under steady shear in amorphous solids

Rashmi Priya and Smarajit Karmakar

Phys. Rev. Materials 10, 035604 (2026) - Published 18 March, 2026

The stress response of a previously sheared amorphous material retains a memory of its prior deformation. This Bauschinger effect manifests as a softening upon shear reversal. Understanding such memory effects provides insights into amorphous rheology. This study reveals that amorphous materials display a previously unrecognized crossover from an inverse to the conventional Bauschinger effect, governed by glass stability, strain history, and shear rate. The resulting phase diagram points to a richer, partially reversible memory landscape. Microscopically, this crossover is rooted in the healing of shear-band networks, establishing local plastic healing as a generic mechanism for memory reversal in disordered solids.

Materials for catalysis and electrochemistry

Exploring the hydrogen evolution reaction performance on a borophene monolayer

Jing Liu and Axel Groß

Phys. Rev. Materials 10, 035801 (2026) - Published 5 March, 2026

Nanomaterials

Skyrmionium metamatter: A topologically heterogeneous magnetic crystal with emergent hybrid dynamics

Andrey O. Leonov and Kaito Nakamura

Phys. Rev. Materials 10, 036001 (2026) - Published 2 March, 2026

This work introduces a paradigm of magnetic meta-matter in which topological chiral solitons—such as skyrmions and skyrmioniums—serve as distinct “atomic” species. In this framework, matter is defined not by chemical elements but by emergent, topologically protected building blocks. By arranging these solitonic units into ordered compound lattices, the resulting meta-matter can be engineered to exhibit well-defined stoichiometries, symmetry classes, and polymorphs, directly mirroring the principles of conventional materials design. Structural transformations between polymorphs enable reconfigurability at the quasiparticle level, establishing solitonic crystals as a fundamentally new form of designed matter with programmable collective behavior and broad potential for next-generation magnonic and spintronic technologies.

Simulating the influence of stoichiometry on the spectral emissivity of MoxSiy thin films

Zahra Golsanamlou, Arseniy Baskakov, Robbert van de Kruijs, Marcelo Ackermann, Menno Bokdam, Silvester Houweling, and Giorgio Colombi

Phys. Rev. Materials 10, 036002 (2026) - Published 16 March, 2026

Electronic transport in three-atom-thick gold nanocontacts: Revealing atomic geometries and applications

J. P. Cuenca, T. de Ara, A. Martinez-Garcia, E. Guzman, and C. Sabater

Phys. Rev. Materials 10, 036003 (2026) - Published 16 March, 2026

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