Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1562818 | Computational Materials Science | 2010 | 5 Pages |
Abstract
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 [0Â 0Â 1], [1Â 1Â 0] and [1Â â1Â 0] crystal directions are considered. The electronic properties of nanowires in all three directions are extremely similar. All 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 [0Â 0Â 1]-oriented nanowires with hexagonal cross sections are energetically more favorable than the [1Â 0Â 0]- and [1Â â1Â 0]-oriented nanowires with triangular cross sections.
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Authors
Zhiguo Wang, Chunlai Zhang, Jingbo Li, Fei Gao, William J. Weber,