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Theoretical study toward understanding the electronic properties of armchair hetero nanotubes
Other Title(s)
دراسة نظرية نحو فهم الخصائص الإلكترونية للأنابيب النانوية المغايرة التركيب
Author
al-Qaraghuli, Layth Abd al-Hasan
Source
Issue
Vol. 11, Issue 2 (30 Jun. 2016), pp.35-47, 13 p.
Publisher
University of Thi-Qar Research and Development Department
Publication Date
2016-06-30
Country of Publication
Iraq
No. of Pages
13
Main Subjects
Topics
Abstract EN
Using the density functional theory ‘DFT’ code ‘SIESTA’ combined with a Green’s function scattering approach ‘GFSA’ code ‘GOLLUM’, we investigate the electronic properties of hetero nanotubes, density of states ‘DOS’, electronic band structure BS, transmission coefficient T(E) and current-voltage curve.
We simulated four different hetero structures of nanotubes which are: 1- Hetero nanotube with one graphene ring and one boron nitride ring.
2- Hetero nanotube with two graphene ring and one boron nitride rings.
3- Hetero nanotube with three graphene ring and one boron nitride rings.
4- Hetero nanotube with four graphene ring and one boron nitride rings nanotubes.
The results show that there is a clear reduction in energy gap ‘Eg’ of hetero nanotubes comparing with the insulator boron nitride (Eg 4.6 eV) and also this kind of hetero nanotubes have zero states at Fermi energy comparing with conductor carbon nanotube which has finite states at Fermi energy.
This is could be a good method to design a semiconductor with desirable band gap.
American Psychological Association (APA)
al-Qaraghuli, Layth Abd al-Hasan. 2016. Theoretical study toward understanding the electronic properties of armchair hetero nanotubes. University of Thi-Qar Journal،Vol. 11, no. 2, pp.35-47.
https://search.emarefa.net/detail/BIM-779460
Modern Language Association (MLA)
al-Qaraghuli, Layth Abd al-Hasan. Theoretical study toward understanding the electronic properties of armchair hetero nanotubes. University of Thi-Qar Journal Vol. 11, no. 2 (Jun. 2016), pp.35-47.
https://search.emarefa.net/detail/BIM-779460
American Medical Association (AMA)
al-Qaraghuli, Layth Abd al-Hasan. Theoretical study toward understanding the electronic properties of armchair hetero nanotubes. University of Thi-Qar Journal. 2016. Vol. 11, no. 2, pp.35-47.
https://search.emarefa.net/detail/BIM-779460
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 45-47
Record ID
BIM-779460