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Structure and electronic properties of native and defected gallium nitride nanotubes

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Moradian, Rostam, Azadi, Sam and Vasheghani Farahani, Soheil. (2008) Structure and electronic properties of native and defected gallium nitride nanotubes. Physics Letters. Section A: General, Atomic and Solid State Physics, Vol.372 (No.46). pp. 6935-6939. ISSN 0375-9601

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Official URL: http://dx.doi.org/10.1016/j.physleta.2008.09.044

Abstract

Structure and electronic properties of GaN nanotubes (GaNNTs) are investigated by using ab initio density functional theory. By full optimization, the optimized structures (bond-lengths and angles between them) of zigzag GaNNTs (n, 0) and armchair GaNNTs (a, n) (4 < n < 11) are calculated. The difference between nitrogen ring diameter and gallium ring diameter (buckling distance) and semiconducting energy gap in term of diameter for zigzag and armchair GaNNTs have also been calculated. We found that buckling distance decreases by increasing nanotube diameter. Furthermore, we have investigated the effects of nitrogen and gallium vacancies on structure and electronic properties of zigzag GaNNT (5, 0) using spin dependent density functional theory. By calculating the formation energy, we found that N vacancy in GaNNT (5, 0) is more favorable than Ga vacancy. The nitrogen vacancy in zigzag GaNNT induces a 1.0 mu(B) magnetization and makes a polarized Structure. We have shown that in polarized GaNNT a flat band near the Fermi energy splits to occupied spin tip and unoccupied spin down levels. (C) 2008 Elsevier B.V. All rights reserved.

Item Type:

Journal Article

Subjects:

Q Science > QC Physics
T Technology > TA Engineering (General). Civil engineering (General)

Divisions:

Faculty of Science > Physics

Library of Congress Subject Headings (LCSH):

Nanotubes -- Electric properties, Gallium nitride

Journal or Publication Title:

Physics Letters. Section A: General, Atomic and Solid State Physics

Publisher:

Elsevier BV

ISSN:

0375-9601

Official Date:

17 November 2008

Dates:

Date	Event
17 November 2008	Published

Volume:

Vol.372

Number:

No.46

Number of Pages:

Page Range:

pp. 6935-6939

Identification Number:

10.1016/j.physleta.2008.09.044

Status:

Peer Reviewed

Publication Status:

Published

Access rights to Published version:

Restricted or Subscription Access

Funder:

Iran. Vizārat-i ʻUlūm, Taḥqīqāt va Fannāvarī [Iran. Ministry of Science, Research and Technology]

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