物理学报Issue(2)：023101-1-023101-7,7.DOI:10.7498/aps.63.023101
Heusler型X2RuPb（X =Lu，Y）合金的反带结构和拓扑绝缘性
The band inversion and top ological insulating state of Heusler alloys：X2RuPb (X =Lu, Y)
摘要
Abstract
The electronic structures of Heusler alloys X2RuPb (X =Lu, Y) under different conditions are investigated using the first-principles calculations. It is found that the alloys become the real topological insulators under a proper lattice deformation or doping. The spin-orbital coupling and the interatomic hybridization effect reinforce each other to perform the band inversion in X2RuPb (X =Lu, Y) compounds and they play roles to different degrees for the materials with different compositions. The ideal topological insulators are easier to obtain using simultaneously lattice deformation and doping artifices, which is available in practical material preparation.关键词
拓扑绝缘体/自旋-轨道耦合作用/Heusler合金/第一性原理计算Key words
topological insulator/spin-orbit coupling/heusler compound/first-principles calculations引用本文复制引用
王啸天,吴光恒,刘国栋,代学芳,贾红英,王立英,刘然,李勇,刘笑闯,张小明,王文洪..Heusler型X2RuPb（X =Lu，Y）合金的反带结构和拓扑绝缘性[J].物理学报,2014,(2):023101-1-023101-7,7.基金项目
国家自然科学基金(批准号:51271071,11074160)、教育部新世纪优秀人才支持计划(批准号：NCET-10-0126)、河北省应用基础研究计划重点基础研究项目(批准号:12965136D)、河北省高等学校科学技术研究青年基金(批准号：Q2012008)和河北省高校百名优秀创新人才支持计划资助的课题.@@@@ Project supported by the National Natural Science Foundation of China (Grant Nos.51271071,11074160), the Ministry of Education Program for New Century Excellent Talents, China (Grant No. NCET-10-0126), the Key Basic Research Program of Applied Basic Research Program of Hebei Province, China (Grant No.12965136D), Hebei Province Higher Education Science and Technology Research Foundation for Youth Scholars, China (Grant No. Q2012008) and 100 Excellent Innovative Talents Program of Hebei Province, China （批准号:51271071,11074160）
