Tuning magnetism of monolayer GaN by vacancy and nonmagnetic chemical doping |
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| Institution: | 1. Key Laboratory for Optoelectronics and Communication of Jiangxi Province, Jiangxi Science & Technology Normal University, Nanchang 330018, People''s Republic of China;2. College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071, People''s Republic of China;3. School of Materials Science and Engineering, Shanghai University, Shanghai 200072, People''s Republic of China;1. Key Laboratory for Optoelectronics and Communication of Jiangxi Province, Jiangxi Science & Technology Normal University, Nanchang 330038, People''s Republic of China;2. Materials Genome Institute, Shanghai University, Shanghai 200444, People''s Republic of China;3. School of Materials Science and Engineering, Nanchang University, Nanchang 330031, People''s Republic of China;4. College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071, People''s Republic of China;1. State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing, 100876, China;2. Department of Engineering Mechanics, School of Naval Architecture, Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China;1. State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China;2. Department of Engineering Mechanics, School of Naval Architecture, Ocean and Civil Engineering (State Key Laboratory of Ocean Engineering), Shanghai Jiao Tong University, Shanghai 200240, China;1. College of Sciences, Xi''an Shiyou University, Xi''an 710065, Shaanxi, PR China;2. College of Science, Xi''an University of Architecture and Technology, Xi''an 710055, Shaanxi, PR China;3. College of Physics and Information Technology, Shaanxi Normal University, Xi''an 710062, Shaanxi, PR China |
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| Abstract: | In view of important role of inducing and manipulating the magnetism in 2D materials for the development of low-dimensional spintronic devices, the magnetism of GaN monolayer with Ga vacancy and nonmagnetic chemical doping are investigated using first-principles calculations. It is found that pure GaN monolayer has graphene-like structure and is nonmagnetic. While, a neutral Ga vacancy can induce 3 μB intrinsic magnetic moment, localized mainly on the neighboring N atoms. Interestingly, after one Mg or Si atom doping in g-GaN with Ga vacancy, the magnetic moment can be modified to 4 μB or 2 μB respectively due to the change in hole number. Meantime, Mg-doped g-GaN with Ga vacancy shows half-metal character. With the increasing of doping concentrations, the magnetic moment can be further tuned. The results are interesting from a theoretical point of view and may open opportunities for these 2D GaN based materials in magnetic devices. |
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| Keywords: | G-GaN Defect Electronic structure Magnetism tuning First-principles |
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