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Stability and Electronic Properties of GaN Nanowires—An Ab-Initio Approach

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Four different thin nanowires of gallium nitride were studied by pseudopotential density functional electronic structure calculation using the generalized gradient approximations. The different structures were two atom linear wire, two atom zigzag wire, four atom square wire and six atom hexagonal wire. The geometry and the stability of all nanowires were investigated. We have also investigated the density of states and band structure of nanowires. We predict that four atom square wire cross section have greater stability in comparison to other structures and thus energetically more favorable.
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Keywords: DENSITY OF STATES; ELECTRONIC BAND STRUCTURE; GALLIUM NITRIDE NANOWIRES; TOTAL ENERGY

Document Type: Research Article

Publication date: 2008-04-01

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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