Kavli Affiliate: Bo Gu
| First 5 Authors: Jia-Wen Li, Gang Su, Bo Gu, ,
| Summary:
To realize room temperature ferromagnetic semiconductors is still a challenge
in spintronics. Recent experiments have obtained two-dimensional (2D) room
temperature ferromagnetic metals, such as monolayer MnSe2. In this paper, we
proposed a way to obtain room temperature ferromagnetic semiconductors through
metal-semiconductor transition. By the density functional theory calculations,
a room temperature ferromagnetic semiconductor is obtained in monolayer MnSe2
with a few percent tensile strains, where a metal-semiconductor transition
occurs with 2.2% tensile stain. The tensile stains raise the energy of d
orbitals of Mn atoms and p orbitals of Se atoms near the Fermi level, making
the Fermi level sets in the energy gap of bonding and antibonding states of
these p and d orbitals, and opening a small band gap. The room temperature
ferromagnetic semiconductors are also obtained in the heterostructures MnSe2/X
(X = Al2Se3, GaSe, SiH, and GaP), where metal-semiconductor transition happens
due to the tensile strains by interface of heterostructures. In addition, a
large magneto-optical Kerr effect (MOKE) is obtained in monolayer MnSe2 with
tensile strain and MnSe2-based heterostructures. Our theoretical results pave a
way to obtain room temperature magnetic semiconductors from experimentally
obtained 2D room temperature ferromagnetic metals through metal-semiconductor
transitions.
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