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First-principles study of structural and electronic properties of gallium based nanowires
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och astronomi, Materialteori. (Condensed Matter Theory Group)
2013 (engelsk)Inngår i: Solid State Sciences, ISSN 1293-2558, E-ISSN 1873-3085, Vol. 23, s. 35-41Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2013. Vol. 23, s. 35-41
Emneord [en]
Semiconductors, Nanowires, Electronic structure, First-principles calculation, Bulk modulus
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Identifikatorer
URN: urn:nbn:se:uu:diva-209173DOI: 10.1016/j.solidstatesciences.2013.05.014ISI: 000324156200006OAI: oai:DiVA.org:uu-209173DiVA, id: diva2:656199
Tilgjengelig fra: 2013-10-15 Laget: 2013-10-15 Sist oppdatert: 2017-12-06bibliografisk kontrollert

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