First-principles study of structural and electronic properties of gallium based nanowires
2013 (English)In: Solid State Sciences, ISSN 1293-2558, Vol. 23, 35-41 p.Article in journal (Refereed) Published
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.
Semiconductors, Nanowires, Electronic structure, First-principles calculation, Bulk modulus
IdentifiersURN: urn:nbn:se:uu:diva-209173DOI: 10.1016/j.solidstatesciences.2013.05.014ISI: 000324156200006OAI: oai:DiVA.org:uu-209173DiVA: diva2:656199