Two-dimensional MX Dirac materials and quantum spin Hall insulators with tunable electronic and topological properties
作者机构：Institute of Physics&University of Chinese Academy of SciencesChinese Academy of SciencesBeijing100190China Department of PhysicsTemple UniversityPhiladelphiaPA19122USA Institute of Physics“Academia Sinica”Taipei11529Taiwan Physics DepartmentNortheastern UniversityBostonMA02115USA
出 版 物：《Nano Research》 (纳米研究（英文版）)
年 卷 期：2021年第14卷第3期
页 面：584-589页
核心收录：
学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
基 金：This work was supported by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under Award#DE-SC0019275.It benefitted from the supercomputing resources of the National Energy Research Scientific Computing Center(NERSC),a U.S.Department of Energy Office of Science User Facility operated under Contract No.DE-AC02-05CH11231,and Temple University’s HPC resources supported in part by the National Science Foundation through major research instrumentation grant number 1625061 and by the US Army Research Laboratory under contract number W911NF-16-2-0189.S.X.D.and Y.-F.Z.acknowledge support from the National Key Research and Development Program of China(No.2016YFA0202300) Strategic Priority Research Program(No.XDB30000000) the National Natural Science Foundation of China(No.61888102) the International Partnership Program of the Chinese Academy of Sciences(No.112111KYSB20160061)
主 题：two-dimensional Dirac materials density functional theory topological properties
摘 要：We propose a novel class of two-dimensional(2D)Dirac materials in the MX family(M=Be,Mg,Zn and Cd,X=Cl,Br and I),which exhibit graphene-like band structures with linearly-dispersing Dirac-cone states over large energy scales(0.8–1.8 eV)and ultra-high Fermi velocities comparable to ***-orbit coupling opens sizable topological band gaps so that these compounds can be effectively classified as quantum spin Hall *** electronic and topological properties are found to be highly tunable and amenable to modulation via anion-layer substitution and vertical electric *** structures of several members of the family are shown to host a Van-Hove singularity(VHS)close to the energy of the Dirac *** enhanced density-of-states associated with these VHSs could provide a mechanism for inducing topological *** presence of sizable band gaps,ultra-high carrier mobilities,and small effective masses makes the MX family promising for electronics and spintronics applications.
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