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A Study on Structure and Electronic Properties of Single-Wall GaN Nanotubes
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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3489-3492
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Online since:
October 2011
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© 2012 Trans Tech Publications Ltd. All Rights Reserved
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