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

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Abstract:

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.

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Advanced Materials Research (Volumes 347-353)

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3489-3492

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October 2011

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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