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Magnetic properties in zinc-blende CdS induced by Cd vacancies
Authors:Jian-Ping Tang  Ling-ling Wang  Hai-Jun Luo  Wen-Zhi Xiao
Affiliation:1. School of Physics and Microelectronics and Key Lab for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082, China;2. Department of Physics and Electronics Science, Hengyang Normal University, Hengyang 422008, China;3. Department of Physics, Wenzhou University, Wenzhou 325027, China;4. Department of Physics and Mathematics, Hunan Institute of Engineering, Xiangtan 411104, China
Abstract:The magnetic property induced by neutral Cd and S vacancies in CdS bulk and thin film are investigated, using first principles simulation. For bulk CdS, the magnetism originates from Cd, instead of S, vacancies. The ferromagnetism with a Curie temperature above room temperature can be expected. For CdS thin film, both Cd and S vacancies does not yield any magnetism at the (111) surface, while local magnetic moments at the outermost S plane of the (001) surface is ascribed to the surface effect. The ferromagnetism at S-terminated (001) surface can account for the experimental observation.
Keywords:Magnetic property   Zinc-blende CdS   Cd vacancy   First principles
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