Scheme for calculating the electronic structure of polar surfaces
- 15 May 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 59 (20) , 13151-13156
- https://doi.org/10.1103/physrevb.59.13151
Abstract
A method for calculating the electronic structure at polar surfaces, based on a symmetric slab approach with column IV atoms at the center of the polar double slab, is introduced. Ab initio calculations with this method return very good results. Four different III-V (111) surfaces are compared, with corresponding results obtained by the pseudohydrogen termination method.Keywords
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