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Electronic-Structure Calculation of 3d Transition-Metal Point Defects in Silicon
Published online by Cambridge University Press: 28 February 2011
Abstract
The states of lowest energy have been calculated for iron-group (3d) transition-metal impurities in silicon. The donor and acceptor levels reproduce all experimentally observed transitions and trends. The theory predicts that the ground states of the early 3d interstitials and late 3d substitutionals have low spin. This is in conflict with the generally accepted model of Ludwig and Woodbury, if applied to these impurities, but not with existing experiments.
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- Copyright © Materials Research Society 1985
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