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A theoretical investigation of dislocations in cubic and hexagonal gallium nitride

journal contribution
posted on 2023-06-07, 20:49 authored by A T Blumenau, C J Fall, J Elsner, R Jones, M I Heggie, T Frauenheim
In this article we review our theoretical work on dislocations in GaN. The methods applied are two distinct approximations to density functional theory: Density functional based tight-binding total energy calculations allow the prediction of low energy core structures and energies of extended defects embedded in larger regions of perfect material. However, whenever less approximate electronic structure calculations are required they are obtained in a localised basis pseudopotential approach

History

Publication status

  • Published

Journal

Physica Status Solidi (C)

ISSN

1862-6351

Issue

6

Volume

0

Page range

1684-1709

Department affiliated with

  • Chemistry Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

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