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