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First-principles study of structural and electronic properties of gallium based nanowires
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. (Condensed Matter Theory Group)
2013 (English)In: Solid State Sciences, ISSN 1293-2558, Vol. 23, 35-41 p.Article in journal (Refereed) Published
Abstract [en]

Structural stability and electronic properties of GaX (X = N, P, As and Sb) nanowires have been investigated using first-principles based density function theory approach. Out of linear, zigzag, square and hexagon shaped configuration, the square shaped geometry is energetically most stable. The computation of lattice parameters, bulk modulus and pressure derivatives for these Ga based nanowires observes the highest bulk modulus for hexagonal shaped GaN nanowire amongst all, suggest the mechanical strength of this geometry. Electronic band structures analysis shows the semiconducting as well as metallic behavior of these nanowires.

Place, publisher, year, edition, pages
2013. Vol. 23, 35-41 p.
Keyword [en]
Semiconductors, Nanowires, Electronic structure, First-principles calculation, Bulk modulus
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-209173DOI: 10.1016/j.solidstatesciences.2013.05.014ISI: 000324156200006OAI: oai:DiVA.org:uu-209173DiVA: diva2:656199
Available from: 2013-10-15 Created: 2013-10-15 Last updated: 2013-10-15Bibliographically approved

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Ahuja, Rajeev
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