Charge self-consistent empirical tight-binding cluster method for semiconductor surface structures
In this thesis a cluster method for evaluating the structure of semiconductor surfaces is formulated. Chadi’s total energy algorithm is used to express the total energy of a cluster in terms of a sum of one-electron energies and a residual energy term. The one-electron energies are calculated within...
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University of Warwick
1988
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.329153 |