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Realistic tight-binding model for V2Se2O-family altermagnets

Xingkai Cheng1, Yifan Gao1, Junjie Peng1, Chunyu Wan1, and Junwei Liu1,2,*

  • *Contact author: liuj@ust.hk
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Phys. Rev. Materials 10, 114407 – Published 9 November, 2026

DOI: https://doi.org/10.1103/8czs-74vv

Abstract

Following earlier theoretical predictions, intercalated compounds in the V2Se2O family, including RbV2Te2O and KV2Se2O, have been experimentally identified as d-wave altermagnets. This family represents the only verified class of van der Waals altermagnets to date. Their layered structure and crystal-symmetry C-paired spin-momentum locking (CSML) make them a promising platform for exploring unconventional spin responses in low-dimensional systems. To establish a realistic theoretical foundation for understanding these materials, we construct a symmetry-constrained tight-binding model with parameters fitted to first-principles calculations for six representative members of this family. The model reproduces the low-energy band structures and CSML both with and without spin-orbit coupling, enabling calculations of transport responses such as noncollinear spin currents. We further incorporate strain-dependent parameters to describe strain-tunable responses such as the piezo-Hall effect. This model provides a framework for studying electronic structure and spin transport, as well as the interplay among spin, valley, and layer degrees of freedom. More broadly, it provides a starting point for future investigations of novel physics in layered altermagnets and related low-dimensional systems.

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Altermagnetic and Related Materials

Editors of Physical Review Materials are pleased to present the Collection on Altermagnetic and Related Materials, highlighting cutting-edge advances in theoretical and experimental identification of novel altermagnetic materials, their properties, and their potential applications. The Collection is being guest-edited by Kirill Belashchenko of the University of Nebraska-Lincoln (USA), Cheng Song of Tsinghua University (China), and Peter Wadley of The University of Nottingham (UK). Every article published in this collection underwent a rigorous peer review process, adhering to the same high standards applied to all papers. The Physical Review Materials editorial team managed the peer review and made all editorial decisions.

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Phys. Rev. Materials 10, 114407– Published 9 November, 2026
  • Received 30 January 2026
  • Accepted 24 September 2026
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