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

Authors: Srivastava, Pankaj; Singh, Satyendra; Mishra, Abhay

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 4, April 2008 , pp. 635-638(4)

Publisher: American Scientific Publishers

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Abstract:

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.

Keywords: GALLIUM NITRIDE NANOWIRES; ELECTRONIC BAND STRUCTURE; DENSITY OF STATES; TOTAL ENERGY

Document Type: Research article

DOI: 10.1166/jctn.2008.029

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