First-principles study on structural, el
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Wang, Su-Fang ;Zhang, Yan ;Chen, Li-Yong ;Zhang, Jian-Min ;Xu, Ke-Wei
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Article
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2010
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John Wiley and Sons
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English
β 597 KB
## Abstract The structural, electronic, and magnetic properties of Fe nanowire encapsulated in zigzag CNTs have been investigated systematically using the firstβprinciples PAW potential within DFT under GGA. Among the seven Feβencapsulated C cables, only the (8,0) nanocable is formed endothermicall