From Topological Nodal-Line Semimetal to Insulator in ABW-Ge₄: A New Member of the Germanium Allotrope.

ABSTRACT: Topological semimetals have attracted much attention because of their excellent properties, such as ultra-high speed, low energy consumption quantum transport, and negative reluctance. Searching materials with topological semimetallic properties has become a new research field for Group-IV materials. Herein, using first-principles calculations and tight-binding modeling, we proposed a topological nodal-line semimetal ABW-Ge₄ when spin-orbit coupling (SOC) is ignored, which is composed of pure germanium atoms in a zeolite framework ABW. It holds excellent dynamic and thermal stability. In its electronic band structure, there exists a stable Dirac linear band crossing near the Fermi energy level, which forms a closed ring in the k_x = 0 plane of the Brillou

SUBMITTER: Zou Y 

PROVIDER: S-EPMC10398855 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature