First-Principles Calculation of the Topological Nodal-Line Semimetal FeGe_(2)  

作　　者：Yuchen Zou Jianan Bian Yiming Yu 

机构地区：[1]School of Science,Jiliang University,Hangzhou 310018,China

出　　处：《材料科学与工程（中英文B版）》2024年第1期1-6,共6页Journal of Materials Science and Engineering B

摘　　要：The electronic and topological properties of FeGe2 with a tetragonal crystal structure were investigated via first-principles calculations.The results demonstrate that FeGe2 in this structure exhibits anti-ferromagnetism,with two bands crossing the Fermi level nesting each other at high-symmetry points in the Brillouin zone,forming a nodal ring where the nodes intersect in momentum space.Additionally,it possesses nontrivial topological surface states.Upon inclusion of SOC(spin-orbit coupling),there are no significant changes observed in the band structure,nodal features,or surface states,indicating the persistence of its topological nodal-line characteristics.

关 键 词：Topological semimetal first-principles calculations electronic property topological property 

分 类 号：O46[理学—电子物理学]