4.7 Article

Electronic structures of SiC nanoribbons

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 129, 期 17, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3006431

关键词

density functional theory; magnetoelectronics; nanostructured materials; silicon compounds; wide band gap semiconductors

资金

  1. National Natural Science Foundation of China [50721091, 20533030, 50731160010, 20803071, 20873067]
  2. National Key Basic Research Program [2006CB922004,]
  3. USTC-HP HPC project
  4. SCCAS and Shanghai Supercomputer Center
  5. NSF [CHE-0716718]
  6. Environmental Protection Agency [RD-83385601]
  7. Institute for Functional Nanomaterials [0701525]

向作者/读者索取更多资源

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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