Embedding calculations for deep impurity states in semiconductors
- 1 February 1985
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 51 (2) , 199-208
- https://doi.org/10.1080/13642818508240564
Abstract
A method of calculating deep impurity states in semiconductors is presented within the context of a multiple-scattering formulation. An embedding matrix for the host crystal is set up using matching Green function techniques at the impurity cluster surface in the host crystal. The method allows for a cluster of variable geometry to be embedded. Results for the non-self-consistent case are obtained for a number of impurities, including gold, manganese, oxygen and nitrogen, at unrelaxed positions in a silicon host crystal.Keywords
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