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Journal Article

Atomic scale morphology, growth behaviour and electronic properties of semipolar {101̄3} GaN surfaces


Lymperakis,  Liverios
Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece;

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Kioseoglou, J., Kalesaki, E., Lymperakis, L., Karakostas, T. H., & Komninou, P. (2013). Atomic scale morphology, growth behaviour and electronic properties of semipolar {101̄3} GaN surfaces. Journal of Physics: Condensed Matter, 25(4): 045008. doi:10.1088/0953-8984/25/4/045008.

Cite as: https://hdl.handle.net/21.11116/0000-0001-E3A4-5
First-principles calculations relating to the atomic structure and electronic properties of 101̄3 GaN surfaces reveal significant differentiations between the two polarity orientations. The (101̄3) surface exhibits a remarkable morphological stability, stabilizing a metallic structure (Ga adlayer) over the entire range of the Ga chemical potential. In contrast, the semiconducting, cleaved surface is favoured on (1013) under extremely and moderately N-rich conditions, a Ga bilayer is stabilized under corresponding Ga-rich conditions and various transitions between metallic reconstructions take place in intermediate growth stoichiometries. Efficient growth schemes for smooth, two-dimensional GaN layers and the isolation of f10N13g material from parasitic orientations are identified. © 2013 IOP Publishing Ltd.