Realistic tight-binding model for V2Se2O-family altermagnets

TL;DR

This paper develops a realistic tight-binding model for V2Se2O-family altermagnets, capturing their electronic properties and responses, and enabling exploration of their quantum degrees of freedom and potential device applications.

Contribution

It introduces a first-principles parameterized tight-binding model for V2Se2O-family altermagnets, including strain effects, which was not previously available.

Findings

Accurately reproduces altermagnetic electronic properties

Models strain-tunable responses like piezo-Hall effects

Enables systematic study of spin, valley, and layer degrees of freedom

Abstract

Following earlier theoretical prediction, intercalated V2Se2O-family altermagnets such as RbV2Te2O and KV2Se2O have now been experimentally confirmed as d-wave altermagnets, representing the only known van der Waals layered altermagnetic systems. By combining crystal-symmetry-paired spin-momentum locking (CSML) with the layered structure, the V2Se2O-family offers a suitable platform for studying low-dimensional spintronic responses and exploring the interplay among multiple quantum degrees of freedom. To establish a concrete theoretical foundation for understanding and utilizing these materials, we investigate six representative members of the V2Se2O-family and construct a realistic tight-binding model parameterized by first-principles calculations, which is benchmarked by experimental measurements. This model accurately captures essential altermagnetic electronic properties, including CSML and noncollinear spin-conserved currents. It further incorporates strain-coupling parameters, enabling the simulation of strain-tunable responses such as the piezo-Hall effects. This realistic model allows systematic exploration of multiple degrees of freedom (like spin, valley, and layer) within a single system, and lays the groundwork for understanding their coupling with other quantum materials, such as topological insulators and superconductors, thereby advancing both the fundamental understanding and potential device applications of this novel class of layered altermagnets.