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 In_nSb_n (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 .

• Periodical: Key Engineering Materials (Volume 483)
• Pages: 574-578
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.483.574
• Online since: June 2011
• Authors: Jian Ning Ding, Ning Yi Yuan, Xiu Qin Wang, Chang Lin Li, Gu Qiao Ding
• Keywords: Electric Property, InSb, Nanocluster, N-Doping, Structure

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