Ferromagnetism in MnX2 (X = S, Se) monolayers.
Using density functional theory combined with Monte Carlo (MC) simulations, we show that the two dimensional (2D) MnS2 and MnSe2 sheets are ideal magnetic semiconductors with long-range magnetic ordering and high magnetic moments (3 μB per unit cell), where all the Mn atoms are ferromagnetically coupled, and the Curie temperatures (TC) estimated for MnS2 and MnSe2 by the MC simulations are 225 and 250 K, respectively, which can be further increased to 330 K and 375 K by applying 5% biaxial tensile strains.
Department of Materials Science and Engineering, Peking University, Beijing 100871, China. sunqiang@pku.edu.cn.
Min
M
Kan
Subash
S
Adhikari
Qiang
Q
Sun