Tuning the electronic and magnetic properties of InSe nanosheets by transition metal doping

Physical Chemistry Chemical Physics : PCCP
Tao WangYadong Wei

Abstract

Magnetic two-dimensional materials have attracted considerable attention for their significant potential application in spintronics. Here, we systematically study the electronic structures and magnetic properties of a 3d transition metal doped InSe monolayer based on density functional theory (DFT). Our results show that InSe monolayer can be turned into a half-metal when the Ti, Cr, or Ni atom is doped. Further calculations indicate that the Cr-InSe monolayer possesses a robust ferromagnetic ground state due to the effective p-d exchange. The predicted Curie temperature of Cr-InSe is above the room temperature, showing a powerful potential in spintronics. Application in the spin valve is also explored using quantum transport simulations. Our results indicate that the magnetoresistance of a Cr-InSe spin valve attains 100% due to the half-metallic characteristics. These findings may pave the way for designing 2D nano-devices for future spin transport applications.

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Apr 30, 2015·Nano Letters·Sukrit SucharitakulXuan P A Gao
Jan 31, 2017·Physical Chemistry Chemical Physics : PCCP·Hao JinYadong Wei

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Citations

Sep 10, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Y H LiR L Zhou

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Methods Mentioned

BETA
AFM

Software Mentioned

NEGF
Nanodcal
Vienna ab initio simulation package ( VASP )
DFT

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