Li_(2)NiSe_(2):A new-type intrinsic two-dimensional ferromagnetic semiconductor above 200 K  

作　　者：肖丽蔓 杨焕成 卢仲毅 Li-Man Xiao;Huan-Cheng Yang;Zhong-Yi Lu(Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials Micro-nano Devices,Renmin University of China,Beijing 100872,China)

机构地区：[1]Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials Micro-nano Devices,Renmin University of China,Beijing 100872,China

出　　处：《Chinese Physics B》2023年第3期502-508,共7页中国物理B（英文版）

基　　金：the National Key Research and Development Program of China(Grant No.2019YFA0308603);the National Natural Science Foundation of China(Grant No.11934020).

摘　　要：By using first-principles electronic structure calculations,we propose a two-dimensional ferromagnetic semiconductor Li_(2)NiSe_(2)with a Curie temperature above 200 K.The structure of monolayer Li_(2)NiSe_(2)is dynamically stable,which is derived from the synthesized prototype compound Li_(2)Ni O_(2)and can be denoted as Li-decorated 1T-type NiSe_(2).The Ni–Se–Ni ferromagnetic superexchange dominates the magnetic couplings between the Ni atoms,which can be understood in the frame of the Goodenough–Kanamori–Anderson(GKA)rules.Our systematic study of monolayer Li_(2)NiSe_(2)enables its promising applications in spintronics and suggests a new choice to design two-dimensional ferromagnetic semiconductors.

关 键 词：two-dimensional ferromagnetic semiconductor ferromagnetic superexchange first-principles calculations 

分 类 号：O469[理学—凝聚态物理]