Kavli Affiliate: Bo Gu
| First 5 Authors: Jia-Wen Li, Gang Su, Bo Gu, ,
| Summary:
To realize ferromagnetic semiconductors with high Curie temperature TC is
still a challenge in spintronics. Recent experiments have obtained
two-dimensional (2D) room temperature ferromagnetic metals, such as monolayers
MnSe2 and Cr3Te6. In this paper, by the density functional theory (DFT)
calculations, we proposed a way to obtain 2D high TC ferromagnetic
semiconductors through element replacement in these ferromagnetic metals. High
TC ferromagnetic semiconductors are predicted in the monolayers (Mn, D)Se2 and
(Cr, D)3Te6, where element D is taken as vacancy, 3d, 4d and 5d transition
metal elements. For the concentrations of D from 1/9 to 1/3, there are about 10
ferromagnetic semiconductors with TC above 200 K, including (Cr5/6, W1/6)3Te6
and (Cr4/6, Mo2/6)3Te6 with TC above 300 K. In addition, Mn(Se6/8, Sb2/8)2 is
also predicted to be a 2D ferromagnetic semiconductor with TC above 300 K.
Considering the fast developments on fabrication and manipulation of 2D
materials, our theoretical results propose a way to explore the high
temperature ferromagnetic semiconductors from experimentally obtained 2D high
temperature ferromagnetic metals through element replacement approach.
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