Citation

Yeoh, K. H. and Chew, Khian Hooi and Yoon, Tiem Leong and Ong, Duu Sheng and Rusi, Rusi (2020) Strain-tunable electronic and magnetic properties of two-dimensional gallium nitride with vacancy defects. Journal of Applied Physics, 127 (1). ISSN 0021-8979

Text 10.1063@1.5132417.pdf - Published Version Restricted to Repository staff only Download (1MB)

Abstract

Based on density functional theory, we have investigated the effects of in-plane biaxial strain on the electronic and magnetic properties of the two-dimensional GaN (2D GaN) with Ga- (VGa) or N-vacancy (VN). We considered two different levels of vacancy concentration, i.e., θ=1/62 and θ=1/34. While the pristine GaN 2D structures are intrinsically semiconducting, the 2D GaN with VGa defects under tensile/compressive biaxial strains is metallic, except at a high compressive strain of 6%. In addition, the 2D GaN exhibits a strain-tunable magnetic property by introducing the VGa defects, where the magnetic moment can be modulated by applying a biaxial strain on the material. A compressive strain larger than 2% tends to suppress the magnetic effect. A drastic reduction of the total magnetization from 2.21 μB to 0.16 μB is clearly visible for a lower VGa concentration of θ=1/62. On the other hand, the 2D GaN with VN defects is nonmagnetic, and this behavior is not affected by the biaxial strain.

Item Type:	Article
Uncontrolled Keywords:	Density functionals, Density functional theory, Magnetism, 2D materials, Semiconductors, Crystallographic defects
Subjects:	Q Science > QD Chemistry > QD450-801 Physical and theoretical chemistry
Divisions:	Faculty of Engineering (FOE)
Depositing User:	Ms Suzilawati Abu Samah
Date Deposited:	14 Dec 2020 13:35
Last Modified:	14 Dec 2020 13:35
URII:	http://shdl.mmu.edu.my/id/eprint/7937

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