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Structural stability of Se and Te nanowires

Yang Jiong Zhang Wen-Qing

Structural stability of Se and Te nanowires

Yang Jiong, Zhang Wen-Qing
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  • Abstract views:  3167
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  • Cited By: 0
Publishing process
  • Received Date:  04 September 2006
  • Accepted Date:  06 December 2006
  • Published Online:  20 July 2007

Structural stability of Se and Te nanowires

  • 1. 中国科学院上海硅酸盐研究所,高性能陶瓷和超微结构国家重点实验室,上海 200050

Abstract: Structural stability for selenium and tellurium nanowires is studied by combining first-principles method and empirical approach. This is an interesting topic due to the fact that the Se and Te crystals are composed of triangular Se and Te chains and that the chain-chain interaction is relatively weak. Nanowires of small diameters (<30?) are studied by first-principles calculations. Meanwhile, an empirical method that considers only the interaction between chains is also proposed in order to study the nanowires of larger diameters. The nanowires with hexagonal cross section are more stable, though the hexagon is not always perfect in shape due to the limitation of chain number. This result agrees with the widely accepted stable structures of selenium and tellurium nanowires.

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