Ab initio calculation of wurtzite‐type GaN nanowires

Abstract

PACS 61. 61.50.Ah, 62.20.Dc, 71.15.Mb Ab initio calculations of wurtzite-type GaN nanowires have been performed using density functional theory. Different shapes of nanowires of with similar diameters of around 2 nm have been considered to determine the stability of the structures. The quantitative similarities in the local properties obtained and dangling bond energies of nanowires and bulk surfaces have lead to a simple model model for a calculation of effective Young's modulus of nanowires of arbitrary diameters and shapes. The size dependence of the Young's modulus reveals a softening of GaN nanowires with the decrease of the diameter.

Codoping of magnesium with oxygen in gallium nitride nanowires

“…[10][11][12] Fortunately, deliberate incorporation of donor oxygen in Mg-doped GaN can improve the conductivity of p-type GaN. [25][26][27] There are a few reports on Mg-doped GaN nanowires. 15 With recent advances in crystal growth technology, wurtzite GaN nanowires with different growth direction are synthesized through different methods.…”

Evaluation of Effective Elastic Properties of Nitride NWs/Polymer Composite Materials Using Laser-Generated Surface Acoustic Waves

“…Studied by these two techniques, the values of the Young modulus published in the literature are controversial. Indeed, one part of the published studies shows that the Young modulus decreases by reducing the NW diameter [7,10], while others present the opposite behavior, i.e., the Young modulus increases with the NW diameter reduction [7,11]. Finally, some publications report the independence of the Young modulus from the wire diameter [12].…”

Bandgap engineering of GaN nanowires

“…13 Moreover, nanowires with different cross sectional shapes, including triangular and hexagonal have also been successfully prepared. [14][15][16] However, the impact of diameters and cross sectional geometries on electronic properties of GaN nanowires is still largely unknown.…”