Exploring a new topological insulator in β-BiAs oxide.

ABSTRACT: The scarcity of suitable quantum spin Hall (QSH) insulators with a significant bulk gap poses a major challenge to the widespread application of the QSH effect. This study employs first-principles calculations to investigate the stability, electronic structure, and topological properties of a fully oxygenated bismuth arsenide system. Without the influence of spin-orbit coupling (SOC), the valence and conduction bands at the Γ-point exhibit a semimetallic nature. However, introducing SOC leads to a substantial 352 meV band gap, which allows operation at room temperature. The calculation of the topological invariant reveals , and the presence of topologically protected edge states in a Dirac cone at the Γ point confirms the existence of a non-trivial topological state. The epit

SUBMITTER: Teshome T 

PROVIDER: S-EPMC12036511 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature