Theoretical investigation on the ferromagnetic two-dimensional scandium monochloride sheet that has a high Curie temperature

被引：5
|
作者：
Wang, Guo [1 ]
Wang, Xinyu [1 ]
Liao, Yi [1 ]
机构：
[1] Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2019年 / 471卷
关键词：
Scandium monochloride; Ferromagnetic material; Curie temperature; Cleavage energy; Density functional theory; INTRINSIC HALF-METALLICITY; MAGNETIC-PROPERTIES; PREDICTION; ROBUST; 1ST-PRINCIPLES; CRYSTAL; HALIDES; BR; CL;
D O I：
10.1016/j.apsusc.2018.12.109
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A two-dimensional scandium monochloride sheet was investigated by using density functional theory. The cleavage energy from the bulk material is slightly lower than that of graphene. The sheet has a ferromagnetic ground state with a Curie temperature of 100 K. Moreover, the sheet becomes a half-metal under hole doping. The Curie temperature increases to 250 K with the doping amount of 0.4 per primitive cell. The two-dimensional scandium monochloride sheet should be a good candidate for two-dimensional spintronics.
引用
收藏
页码：1011 / 1016
页数：6
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