Theoretic Study of the Structures and Electric Properties of N-Doped InSb Nanoclusters

Abstract:

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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 .

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Periodical:

Edited by:

Xiaohao Wang

Pages:

574-578

DOI:

10.4028/www.scientific.net/KEM.483.574

Citation:

J. N. Ding et al., "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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Price:

$35.00

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