Resources

Publications

  • Pressure-stabilized dual-BCC polymorphism in a rhenium-based high-entropy alloy

    Author(s): Raimundas Sereika, Andrew D. Pope, Hunter Kantelis, Caleb M. Knight, Kallol Chakrabarty, and Yogesh K. Vohra Accessing metastable structural states in high-entropy alloys (HEAs) offers a promising route to tailor material properties, yet the use of high pressure to engineer such states remains underexplored. Here, we report the pressure-driven synthesis of a unique metastable dual-BCC microstructure in a n… [Phys. Rev. Materials...

  • High-throughput quantification of altermagnetic band splitting

    Author(s): Ali Sufyan, Brahim Marfoua, J. Andreas Larsson, Erik van Loon, and Rickard Armiento Altermagnetism is reshaping fundamental understanding of magnetism, combining zero net magnetization with spin-split electronic bands, all without needing heavy, expensive elements. But how to find these materials efficiently? The authors performed a high-throughput screening of the MAGNDATA database (2287 experimentally characterized magnetic structures...

  • ${\mathrm{Er}}_{\mathrm{Al}}:{\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ for telecom-band photonics: Electronic structure and optical properties

    Author(s): Mahtab A. Khan, Jayden D. Craft, Maida Noor, Hari P. Paudel, Yuhua Duan, Dirk R. Englund, and Michael N. Leuenberger Er-doped ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ is a promising host for telecom-band integrated photonics. Here we combine ab initio calculations with a symmetry-resolved analysis to elucidate substitutional Er on the Al site $({\mathrm{Er}}_{\mathrm{Al}})$ in $α\text{−}{\mathrm{Al}}_{2}{\mathrm{O}}_{3… [Phys. Rev. Materials...

  • Geometry induced net spin polarization of $d$-wave altermagnets

    Author(s): Abhiram Soori We show that the shape of a finite altermagnetic sample can generate a measurable spin polarization, even though these materials exhibit zero net magnetization in the large-system limit. This effect arises from the interplay between anisotropic spin-resolved band structures and the discrete set of allowed electron states in confined geometries. For rectangular samples, unequal dimensions lead to an imbalance between spin...

  • Crystal phase of III-V ternary nanowires: Control parameters and open questions

    Author(s): Vladimir G. Dubrovskii Compositional trends in III-V ternary nanowires grown by the vapor-liquid-solid method were extensively studied over the past decade. Conversely, the wurtzite-zincblende polytypism was investigated mainly for binary III-V nanowires. The crystal phase changes in III-V ternary nanowires and even the k… [Phys. Rev. Materials 10, 046003] Published Thu Apr 23, 2026

  • Mechanical manipulation of graphene nanoribbons on Au(111) using large amplitude scanning force microscopy experiments and calculations

    Author(s): Sebastian Schneider, Jonathan Eifler, Olga Artemyeva, Tillmann Klamroth, and Regina Hoffmann-Vogel We investigate the manipulation of weakly bound graphene nanoribbons (GNRs) on the Au(111) surface using large amplitude scanning force microscopy. The GNRs are fabricated in situ via surface-assisted Ullmann coupling. Mobile GNRs are identified in scanning images by increased noise due to their wea… [Phys. Rev. Materials 10, 043803...

  • Hydrogen in brownmillerite perovskites: First-principles insights into energetics and induced electronic-magnetic changes

    Author(s): Vladislav Korostelev, Pjotrs Žguns, and Konstantin Klyukin Hydrogen uptake in brownmillerite perovskites ${\mathrm{A}}_{2}{\mathrm{B}}_{2}{\mathrm{O}}_{5}$ offers an (electro)chemically accessible route to tune functional properties, but mechanistic understanding and design rules for hydrogen-responsive oxides remain limited. Here, we employ density functio… [Phys. Rev. Materials 10, 044605] Published Wed Apr 22, 2026
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