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Mean-square displacements of Ta and C atoms in TaC encapsulated in carbon nanotubes

✍ Scribed by Yosida, Yositaka

Book ID: 126770595
Publisher: American Institute of Physics
Year: 1995
Tongue: English
Weight: 760 KB
Volume: 78
Category: Article
ISSN: 0021-8979
DOI: 10.1063/1.360754

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## Abstract The structures and electronic properties for C~36~ encapsulated in four single‐wall armchair carbon nanotubes (C~36~@(__n__,__n__), __n__=6‐9) were calculated using ab initio self‐consistent field crystal orbital method based on density functional theory. The calculations show that the