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Shape and Size Dependence of Electronic Properties of InSb Diamondoids and Nanocrystals : A Density Functional Theory Study
Joint Authors
Abdulsattar, Mudar Ahmed
Saeed, Ahmed M.
Sultan, Thamer R.
Source
Advances in Condensed Matter Physics
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-12-09
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
Shape and size dependence of electronic properties of InSb diamondoids and nanocrystals is investigated using density functional theory.
Cluster and large unit cell methods are combined with molecular orbital methods to obtain electronic structure of InSb diamondoids and nanocrystals.
Starting from the simple molecules of hydrogenated InSb clusters such as InSbH6, In3Sb3H12, InSb-diamantane, InSb-tetramantane, and InSb-hexamantane and ending with InSb large unit cell method we were able to obtain the electronic structure of a wide range of InSb nanostructures.
Results showed that energy gap and In–Sb bond lengths generally decrease as the number of atoms increases with remarkable dependence on the shape of the molecule or nanocrystal.
Atomic charges, tetrahedral angles, and bond lengths are used to compare different sizes, locations, and shapes of InSb diamondoids and nanocrystals.
American Psychological Association (APA)
Abdulsattar, Mudar Ahmed& Sultan, Thamer R.& Saeed, Ahmed M.. 2013. Shape and Size Dependence of Electronic Properties of InSb Diamondoids and Nanocrystals : A Density Functional Theory Study. Advances in Condensed Matter Physics،Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-492611
Modern Language Association (MLA)
Abdulsattar, Mudar Ahmed…[et al.]. Shape and Size Dependence of Electronic Properties of InSb Diamondoids and Nanocrystals : A Density Functional Theory Study. Advances in Condensed Matter Physics No. 2013 (2013), pp.1-5.
https://search.emarefa.net/detail/BIM-492611
American Medical Association (AMA)
Abdulsattar, Mudar Ahmed& Sultan, Thamer R.& Saeed, Ahmed M.. Shape and Size Dependence of Electronic Properties of InSb Diamondoids and Nanocrystals : A Density Functional Theory Study. Advances in Condensed Matter Physics. 2013. Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-492611
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-492611