Strain effects on the electronic properties of cobalt-based coordination nanosheets.

ABSTRACT: We theoretically study strain effects on the electronic properties of cobalt-based benzenehexathiol (CoBHT) coordination nanosheets using first-principles calculations. Two distinct crystal structures, high-density structure (HDS) and low-density structure (LDS), are explored. Our results reveal that HDS behaves as a metal, while LDS exhibits semiconducting properties. Spin-polarized electronic band structures highlight the presence of energy band structures of the Kagome lattice, and the inclusion of spin-orbit coupling (SOC) results in band gap openings at high-symmetric K points. Furthermore, we construct a tight-binding model to investigate the topological properties of CoBHT, demonstrating anomalous Hall conductivity driven by the intrinsic Berry curvature. The impact of uniaxi

SUBMITTER: Nishigomi K 

PROVIDER: S-EPMC12451603 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature