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

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)...

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Bibliographic Details
Published in:Key engineering materials 2011-01, Vol.483, p.574-578
Main Authors: Yuan, Ning Yi, Li, Chang Lin, Ding, Gu Qiao, Ding, Jian Ning, Wang, Xiu Qin
Format: Article
Language:English
Subjects:
Clusters
Doping
Electron density
Energy gap
Indium antimonides
Nanocomposites
Nanomaterials
Nanostructure
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Summary: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 .
ISSN:1013-9826
1662-9795
1662-9795
DOI:10.4028/www.scientific.net/KEM.483.574