期刊
APPLIED PHYSICS LETTERS
卷 96, 期 14, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3379025
关键词
ab initio calculations; antiferromagnetic materials; energy gap; ferromagnetic materials; hydrogenation; silicon compounds; wide band gap semiconductors
资金
- National Key Project for Basic Research of China [2006CB921802, 2010CB630704, 2010CB923404]
- Education Ministry of China [20070284019]
The intriguing electronic and magnetic properties of the semihydrogenated SiC sheet are investigated by means of the first-principles calculations. The semihydrogenated SiC sheet exhibits diverse electronic and magnetic properties: a ferromagnetic semiconductor when Si atoms are hydrogenated, while an antiferromagnetic semiconductor with C atoms hydrogenated. The semihydrogenated SiC sheet with the C atoms hydrogenated is found to be more stable than the sheet with the Si atoms hydrogenated. Thus, controlling the hydrogenation on the different atom sites can precisely modulate the electronic and magnetic properties of the semihydrogenated SiC sheet, which endues the semihydrogenated SiC sheet great potential applications in the future functional nanodevices.
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