Highlights

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.

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.

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.

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.

β-Ga2O3(001) surface reconstructions from first principles and experiment

Konstantin Lion, Piero Mazzolini, Kingsley Egbo, Toni Markurt, Oliver Bierwagen, Martin Albrecht, and Claudia Draxl

Phys. Rev. Materials 10, 043603 (2026) - Published 30 April, 2026

Understanding how atoms arrange on semiconductor surfaces is critical for growing high-quality thin films for electronic devices. Using quantum-mechanical simulations combined with high-resolution electron microscopy, we discover a previously unknown 1 x 2 surface reconstruction of β-Ga2O3(001), a leading candidate for next-generation power electronics. In this structure, gallium and oxygen atoms form edge-sharing tetrahedral units on the surface, exhibiting remarkable stability across a wide range of experimental growth conditions. We also find that indium atoms, used as catalysts during growth, preferentially substitute into the surface in cooperative groupings, offering new guidance for optimizing film deposition.

First-principles theory of direct-gap optical emission in hexagonal Ge and its enhancement via strain engineering

Christopher A. Broderick, Xie Zhang, Mark E. Turiansky, and Chris G. Van de Walle

Phys. Rev. Materials 10, 044603 (2026) - Published 21 April, 2026

The emergence of metastable lonsdaleite germanium (2H-Ge) heralds a novel group-IV semiconductor, with the potential to address the longstanding challenge of realizing a direct-gap optical emitter for monolithic integration on Si. In this work, the nature of optical emission from direct-gap 2H-Ge is addressed theoretically. The authors’ first-principles calculations accurately account for measured photoluminescence spectra, and demonstrate that radiative recombination in 2H-Ge is significantly weaker than in a conventional direct-gap semiconductor. Strain-dependent analysis confirms the predicted emergence of an optically bright band gap under uniaxial tension, highlighting that strain engineering presents a promising route to realize 2H-Ge-based emitters for photonics.

Ab initio study of magnetoresistance effect in Mn3Sn/MgO/Mn3Sn antiferromagnetic tunnel junction

Katsuhiro Tanaka, Yuta Toga, Susumu Minami, Satoru Nakatsuji, Takuya Nomoto, Takashi Koretsune, and Ryotaro Arita

Phys. Rev. Materials 10, 044405 (2026) - Published 16 April, 2026

The electric current flowing through antiferromagnets can be spin-polarized when their magnetic structures break the macroscopic time-reversal symmetry, which leads to the emergence of the tunnel magnetoresistance (TMR) effect in the antiferromagnetic tunnel junction. In this study, the authors calculation the TMR effect from first-principles with the noncollinear antiferromagnet Mn3Sn as the electrode, and MgO, a typical barrier material, as the insulating spacer. They show that Mn3Sn/MgO/Mn3Sn junctions exhibit a sizable TMR effect owing to the spin splitting of Mn3Sn and the screening effect of MgO. This work will serve as a reasonable benchmark for further development of the antiferromagnetic TMR effect.

Bulk magnetic properties of distorted square lattice compounds MLnTaO4 (Ln = Tb, Dy, Ho, Er)

Nicola D. Kelly, Ivan da Silva, and Siân E. Dutton

Phys. Rev. Materials 10, 044404 (2026) - Published 14 April, 2026

Ceramic materials containing lanthanide (rare-earth) ions are important to many technologies including solid-state refrigeration, lasers, fuel cells, and the growing field of quantum computing. In this work, the authors investigated a series of four isostructural compounds with different lanthanide ions and compared them with the quantum magnet M’-YbTaO4 recently reported by others. While the lanthanide ions are chemically very similar, the materials display a wide range of electronic and magnetic properties as revealed by magnetometry and physical property measurements and detailed crystallographic analysis, including the use of neutron diffraction for magnetic structure determination.

Particle size scaling of non-Gaussian granular charge distributions

Macarena Lara, Marcos Flores, Gustavo Castillo, Santiago Tassara, Scott R. Waitukaitis, and Nicolás Mujica

Phys. Rev. Materials 10, 045604 (2026) - Published 14 April, 2026

Identical insulating particles can exchange electric charge upon contact, a process known as triboelectric charging. This phenomenon plays key roles in natural processes such as dust storms, volcanic eruptions, and planet formation, as well as in many industrial settings. Surprisingly, charge transfer also occurs between particles of the same size and material. We measure charge distributions in large ensembles of oxide particles with carefully controlled sizes and compositions. Highly charged particles arise far more often than expected, resulting in strongly non-Gaussian distributions. Their probability increases systematically with particle size, scaling with surface area. These results place new constraints on microscopic mechanisms of triboelectric charging.

Imprinting macroscopic fracture during gelation: A mechanism for tuning colloidal gels

Wilbert J. Smit, Thomas Gibaud, Sébastien Manneville, and Thibaut Divoux

Phys. Rev. Materials 10, 045602 (2026) - Published 3 April, 2026

In many practical situations – whether during casting, 3D printing, or more generally processing – colloidal suspensions of attractive particles undergo gelation while being subjected to repeated deformations. Although such flows are ubiquitous in industrial and laboratory settings, their impact on the emergence of the gel network remains poorly understood. Here, the authors show that applying oscillatory deformations on a colloidal suspension as it turns into a soft solid can imprint fracture patterns that lead to weaker gels compared to quiescent gelation, while enhancing their ability to dissipate energy. Remarkably, these cracks leave a simple and robust mechanical signature that can be captured by a minimal model, linking fracture to bulk material response. Their results reveal how mechanical perturbations reshape gelation and provide a practical route to design softer, more ductile 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.

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.

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.

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.

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.

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.

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.

Thermal evolution of exchange stiffness and Gilbert damping in magnetic Weyl semimetal Co2MnGa thin films

Ayomipo Israel Ojo, Vimukthi Deshan Ganepola Arachchige, Derick DeTellem, Anastasios Markou, Claudia Felser, Jacob Gayles, Sarath Witanachchi, Manh-Huong Phan, and Darío A. Arena

Phys. Rev. Materials 10, 024410 (2026) - Published 25 February, 2026

Magnetic Weyl semimetals such as Co2MnGa (CMG) are promising candidates for next-generation spintronic materials due to their exotic topological properties. Using ferromagnetic resonance spectroscopy, the authors investigate CMG thin films, revealing that the thermal evolution of the exchange stiffness is dominated by electron-magnon interactions. Furthermore, they demonstrate ultralow damping at room temperature in all the films, with the thickest film showing a temperature-independent damping behavior down to 10 K. These results highlight CMG’s potential for efficient room‑temperature and cryogenic magnonic circuits and provide critical parameters for micromagnetic modeling to support device engineering.

Upward band gap bowing and negative mixing enthalpy in multi-component cubic halide perovskite alloys

Xiuwen Zhang, Fernando P. Sabino, Jia-Xin Xiong, and Alex Zunger

Phys. Rev. Materials 10, 025405 (2026) - Published 25 February, 2026

Semiconductor compounds are often alloyed to obtain target physical properties that are absent in the individual components. Conventional tetrahedral semiconductors generally have lower alloy gaps than the composition average gap of the constituents (“downward bowing”). We designed via DFT multi-component halide perovskite alloys that have significant upward bowing. Such alloys have a rather low mixing enthalpy, suggesting stability towards phase separation. The enabling idea is to mix perovskites with B atoms that have low lying s-orbitals in the valence band, with a compound that has IB atoms (e.g., Cd) with s-orbitals in the conduction band. The ensuing s-s repulsion opens the alloy gap with respect to the constituents’ gap.

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