期刊
PHYSICAL REVIEW B
卷 81, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.245402
关键词
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资金
- Academy of Finland
An extended tight-binding model that includes up to third-nearest-neighbor hopping and a Hubbard meanfield interaction term is tested against ab initio local spin-density approximation results of band structures for armchair- and zigzag-edged graphene nanoribbons. A single tight-binding parameter set is found to accurately reproduce the ab initio results for both the armchair and zigzag cases. Transport calculations based on the extended tight-binding model faithfully reproduce the results of ab initio transport calculations of graphene nanoribbon-based systems.
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