Polar surfaces of wurtzite and zincblende lattices

Madelung potentials are calculated at lattice sites along the [0001] wurtzite and [111] zincblende axes, both in the bulk and at the polar surfaces. The potentials are then used to compute the electrostatic surface energies of various (0001) wurtzite and (111) zincblende surface arrangements. All ar...

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Bibliographic Details
Published in:Surface science 1970, Vol.19 (2), p.291-317
Main Authors: Nosker, R.W., Mark, P., Levine, J.D.
Format: Article
Language:English
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Summary:Madelung potentials are calculated at lattice sites along the [0001] wurtzite and [111] zincblende axes, both in the bulk and at the polar surfaces. The potentials are then used to compute the electrostatic surface energies of various (0001) wurtzite and (111) zincblende surface arrangements. All arrangements considered satisfy the ionic stability criterion, which requires a net charge at the polar surface. The surface energy results predict reconstructed and faceted surface structures that agree well with experimental low energy electron diffraction work reported in the literature.
ISSN:0039-6028
1879-2758
DOI:10.1016/0039-6028(70)90040-3