Paper Title:
Theoretic Study of the Structures and Electric Properties of N-Doped InSb Nanoclusters
  Abstract

The first-principle quantum mechanical method was used to investigate the structures and electric properties of N-doped. Doping of N atom to clusters is found to be energetically quite favorable except for n=16. Different from bulk material, the LUMO-HOMO energy gaps of the InnSbn (n=6-12,14,16,24) clusters are enlarged by doping of N. The analysis of the electron density of the HOMO and LUMO states was performed to understand the behavior .

  Info
Periodical
Edited by
Xiaohao Wang
Pages
574-578
DOI
10.4028/www.scientific.net/KEM.483.574
Citation
J. N. Ding, N. Y. Yuan, X. Q. Wang, C. L. Li, G. Q. Ding, "Theoretic Study of the Structures and Electric Properties of N-Doped InSb Nanoclusters", Key Engineering Materials, Vol. 483, pp. 574-578, 2011
Online since
June 2011
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