Local atomic and electronic structures in ferromagnetic topological insulator Cr-doped (BixSb1-x)2Te3 studied by XAFS and ab initio calculations

被引：8
|
作者：
Liu, Zhen [1 ]
Wei, Xinyuan [1 ]
Wang, Jiajia [1 ]
Pan, Hong [1 ]
Ji, Fuhao [1 ]
Ye, Mao [2 ]
Yang, Zhongqin [1 ]
Qiao, Shan [2 ,3 ]
机构：
[1] Fudan Univ, Dept Phys, State Key Lab Surface Phys, Shanghai 200433, Peoples R China
[2] Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China
[3] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200050, Peoples R China
来源：
PHYSICAL REVIEW B | 2015年 / 92卷 / 10期
基金：
上海市自然科学基金;
关键词：
TOTAL-ENERGY CALCULATIONS; TRANSITION;
D O I：
10.1103/PhysRevB.92.100101
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The local atomic and electronic structures around the dopants in Cr-doped (BixSb1-x)(2)Te-3 are studied by x-ray absorption fine structure (XAFS) measurements and first-principles calculations. Both Cr and Bi are confirmed substituting Sb sites (Cr-Sb and Bi-Sb). The six nearest Te atoms around Cr move towards Cr and shorten the Cr-Te bond lengths to 2.76 angstrom and 2.77 angstrom for x = 0.1 and x = 0.2, respectively. Importantly, we reveal the hybridization between the Sb/Te p states and Cr d states by the presence of a pre-edge peak at Cr K-absorption edge, which is also supported by our ab initio calculations. These findings provide important clues to understand the mechanism of ferromagnetic order in this system with quantum anomalous Hall effect.
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页数：5
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