A Study on Structure and Electronic Properties of Single-Wall GaN Nanotubes

Abstract:

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Using the first principle method based on density functional theory (DFT), we have studied the stability, structure, and electronic properties in (2 2), (3, 3), (4 4), (5 5), (6 6) armchair and (4 0), (5 0), (6 0) zigzag GaN nanotubes (GaN-NTs). In addition, the radius of N, Ga atoms, buckling separations, band gap and binding energy of (3 3) and (4 0) GaN-NTs in c-axis strain are investigated. We also explore the modification of density of states due to the strain along c-axis orientation. It is found that the strain can change conductive properties of (3 3) and (4 0) GaN-NTs.

Info:

Periodical:

Advanced Materials Research (Volumes 347-353)

Edited by:

Weiguo Pan, Jianxing Ren and Yongguang Li

Pages:

3489-3492

DOI:

10.4028/www.scientific.net/AMR.347-353.3489

Citation:

L. B. Shi and H. K. Yuan, "A Study on Structure and Electronic Properties of Single-Wall GaN Nanotubes", Advanced Materials Research, Vols. 347-353, pp. 3489-3492, 2012

Online since:

October 2011

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Price:

$35.00

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