期刊
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
卷 377, 期 -, 页码 239-242出版社
ELSEVIER
DOI: 10.1016/j.jmmm.2014.09.078
关键词
Magnetic properties; Electronic properties; Ni-doped ZnS; Dilute magnetic semiconductor
资金
- National Natural Science Foundation of China [61404011]
- Scientific Research Fund of Hunan Provincial Education Department [12C0043]
- program of the key discipline in Hunan province
- Aid program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province
A systematic investigation on magnetism and spin-resolved electronic properties in Ni-doped ZnS systems was performed by using the first principle plane-wave pseudo potential method. The formation energy calculation implied that Ni-doped ZnS could be realized experimentally at room temperature and ferromagnetic state was ground state in Ni-doped ZnS. Electronic structures showed Ni-doped ZnS supercell was p-type half-metallic ferromagnetic (FM) semiconductor with a total magnetic moment of 2.0 mu(B) per Ni. Due to the neighboring S atoms around doped Ni atoms mediating the magnetic coupling by p-d hybridization, the long distance FM coupling in Ni-doped ZnS was achieved. Furthermore, high dopant concentration and not obvious clustering effect could be obtained in Ni-doped ZnS. These results imply that Ni-doped ZnS could be a promising dilute magnetic semiconductor for application in spintronic devices. (C) 2014 Elsevier B.V. All rights reserved.
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