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Carter DJ, Puckeridge M, Delley B, et al. Quantum confinement effects in gallium nitride nanostructures: ab initio investigations. Nanotechnology. 2009;20(42):425401doi: 10.1088/0957-4484/20/42/425401.
Carter, D. J., Puckeridge, M., Delley, B., & Stampfl, C. (2009). Quantum confinement effects in gallium nitride nanostructures: ab initio investigations. Nanotechnology, 20(42), 425401. https://doi.org/10.1088/0957-4484/20/42/425401
Carter, Damien J, et al. "Quantum confinement effects in gallium nitride nanostructures: ab initio investigations." Nanotechnology vol. 20,42 (2009): 425401. doi: https://doi.org/10.1088/0957-4484/20/42/425401
Carter DJ, Puckeridge M, Delley B, Stampfl C. Quantum confinement effects in gallium nitride nanostructures: ab initio investigations. Nanotechnology. 2009 Oct 21;20(42):425401. doi: 10.1088/0957-4484/20/42/425401. Epub 2009 Sep 25. PMID: 19779245.
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Nanotechnology. 2009 Oct 21;20(42):425401. doi: 10.1088/0957-4484/20/42/425401. Epub 2009 Sep 25.

Quantum confinement effects in gallium nitride nanostructures: ab initio investigations.

Nanotechnology

Damien J Carter, Max Puckeridge, Bernard Delley, Catherine Stampfl

Affiliations

  1. School of Physics, The University of Sydney, Sydney, NSW 2006, Australia.

PMID: 19779245 DOI: 10.1088/0957-4484/20/42/425401

Abstract

We present ab initio density functional investigations of the atomic and electronic structure of gallium nitride nanodots and nanowires. With increasing diameter, the average Ga-N bond length in the nanostructures increases, as does the relative stability (heat of formation), approaching the values for bulk GaN. As the diameter decreases, the band gap increases, with the variation for the nanodots greater than that for the nanowires, in qualitative accordance with expectations based on simple geometrical quantum confinement considerations. Interestingly, in contrast to nanowires, the lowest unoccupied states of the nanodots exhibit an extended delocalized (Ga-derived) character, weighted in the centre of the nanodot.

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