Electronic structures of SiC nanoribbons

被引:240
作者
Sun, Lian [1 ]
Li, Yafei [2 ]
Li, Zhenyu [1 ]
Li, Qunxiang [1 ]
Zhou, Zhen [2 ]
Chen, Zhongfang [3 ]
Yang, Jinlong [1 ]
Hou, J. G. [1 ]
机构
[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China
[2] Nankai Univ, Inst Comp Sci, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China
[3] Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, San Juan, PR 00931 USA
基金
中国国家自然科学基金;
关键词
density functional theory; magnetoelectronics; nanostructured materials; silicon compounds; wide band gap semiconductors;
D O I
10.1063/1.3006431
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Electronic structures of SiC nanoribbons have been studied by spin-polarized first-principles calculations. The armchair nanoribbons are nonmagnetic semiconductors, while the zigzag nanoribbons are magnetic metals. The spin polarization in the zigzag SiC nanoribbons is originated from the unpaired electrons localized on the ribbon edges. Interestingly, the zigzag nanoribbons narrower than similar to 4 nm present half-metallic behavior. Without the aid of external field or chemical modification, the metal-free half-metallicity predicted for narrow SiC zigzag nanoribbons opens a facile way for nanomaterial-based spintronics applications.
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页数:4
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