Strain-tunable electronic and magnetic properties of two-dimensional gallium nitride with vacancy defects
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...
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| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
AIP Publishing
2020
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/24654/ https://doi.org/10.1063/1.5132417 |
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| Institution: | Universiti Malaya |
| Summary: | 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 μ B to 0.16 μ B 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. © 2020 Author(s). |
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