N/p-Doping in a buckled honeycomb InAs monolayer using IVA-group impurities.

ABSTRACT: In this work, the effects of n/p-doping on the electronic and magnetic properties of a low-buckled honeycomb InAs monolayer are investigated using first-principles calculations. Herein, IVA-group atoms (C, Si, Ge, Sn, and Pb) are selected as impurities for n-doping in the In sublattice and p-doping in the As sublattice. The pristine monolayer is a semiconductor with a band gap of 0.77(1.41) as determined using the PBE(HSE06) functional. A single In vacancy induces magnetic semiconductor behavior with a large total magnetic moment of 2.98 μ_B, while a single As vacancy preserves the non-magnetic nature. The monolayer is not magnetized by n-doping with C and Si atoms due to the strong ionic interactions, while the magnetic semiconducting nature is induced with Ge, Sn, and Pb

SUBMITTER: Hoat DM 

PROVIDER: S-EPMC10929595 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature