Defect-mediated Rashba engineering for optimizing electrical transport in thermoelectric BiTeI  

作　　者：Xin Li Ye Sheng Lihua Wu Shunbo Hu Jiong Yang David J.Singh Jihui Yang Wenqing Zhang 

机构地区：[1]Materials Genome Institute,Shanghai University,99 Shangda Road,200444 Shanghai,China [2]Materials Science and Engineering Department,University of Washington,Seattle,WA 98195,USA [3]Department of Physics and Astronomy and Department of Chemistry,University of Missouri,Columbia,MO 65211,USA [4]Department of Physics and Shenzhen Institute for Quantum Science&Technology,Southern University of Science and Technology,518055 Shenzhen,Guangdong,China [5]Guangdong Provincial Key Laboratory of Computational Science and Material Design,and Shenzhen Key Laboratory of Advanced Quantum Functional Materials and Devices,Southern University of Science and Technology,518055 Shenzhen,Guangdong,China

出　　处：《npj Computational Materials》2020年第1期774-780,共7页计算材料学（英文）

基　　金：This work was supported by the National Key Research and Development Program of China(Nos.2017YFB0701600,2018YFB0703600);the Natural Science Foundation of China(Grant Nos.51632005,11604200,11674211,and 51761135127);the 111 Project D16002;W.Z.also acknowledges the support from the Guangdong Innovation Research Team Project(No.2017ZT07C062);Guangdong Provincial Key-Lab program(No.2019B030301001);Shenzhen Municipal Key-Lab program(ZDSYS20190902092905285);Shenzhen Pengcheng-Scholarship Program;J.Y.acknowledges the financial support of the US National Science Foundation with award number 1915933.

摘　　要：The Rashba effect plays a vital role in electronic structures and related functional properties.The strength of the Rashba effect can be measured by the Rashba parameter α_(R);it is desirable to manipulate α_(R) to control the functional properties.The current work illustrates how α_(R) can be systematically tuned by doping,taking BiTeI as an example.

关 键 词：properties RASHBA DOPING 

分 类 号：O47[理学—半导体物理]