The electronic properties of hydrogen-saturated GaN nanowires with different orientations and sizes are investigated using first-principles calculations, and three types of nanowires oriented along the [001], [110] and [1-10] crystal directions are considered. The electronic properties show little dependence on orientation. The hydrogen-saturated GaN nanowires show semiconducting behavior with a direct band gap larger than that of bulk wurtzite GaN. Quantum confinement leads to a decrease in the band gap of the nanowires with increasing nanowire size. The [001]-oriented nanowires with hexagonal cross sections are energetically more favorable than the [100]- and [1-10]-oriented nanowires with triangular cross-sections.
Revised: February 23, 2011 |
Published: December 1, 2010
Citation
Wang Z., C. Zhang, J. Li, J. Li, F. Gao, and W.J. Weber. 2010.First principles study of electronic properties of gallium nitride nanowires grown along different crystal directions.Computational Materials Science 50, no. 2:Pages 344-348.PNNL-SA-74490.doi:10.1016/j.commatsci.2010.08.024