Topological Nodal Line Semimetal in Non-Centrosymmetric PbTaS2

作     者：孙建鹏 

作者机构：SKLSMInstitute of SemiconductorsChinese Academy of SciencesBeijing 100083 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2017年第34卷第7期

页      面：199-202页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：Supported by the National Natural Science Foundation of China under Grant No 11504366 the National Basic Research Program of China under Grant Nos 2015CB921503 and 2016YFE0110000 

主　　题：SOC Topological Nodal Line Semimetal in Non-Centrosymmetric PbTaS2 Pb 

摘      要：Topological semimetals are a new type of matter with one-dimensional Fermi lines or zero-dimensional Weyl or Dirac points in momentum space. Here using first-principles calculations, we find that the non-centrosymmetric PbTaS2 is a topological nodal line semimetal. In the absence of spin-orbit coupling （SOC）, one band inversion happens around a high symmetrical H point, which leads to forming a nodal line. The nodal line is robust and protected against gap opening by mirror reflection symmetry even with the inclusion of strong SOC. In addition, it also hosts exotic drumhead surface states either inside or outside the projected nodal ring depending on surface termination. The robust bulk nodal lines and drumhead-like surface states with SOC in PbTaS2 make it a potential candidate material for exploring the freakish properties of the topological nodal line fermions in condensed matter systems.