The X-Si4H12 and X-Si20H28 (X = P or N) cluster models were studied by the MNDO method. Energy levels of all the model clusters are reported. Both the highest occupied and lowest empty one-electron levels are localized. In the case of P impurity, the initial on-center arrangement corresponds to an abs. min. energy leading to 4-equiv. Si-P bond lengths of 0.235 nm.
Model clusters and electronic characteristics of deep-level impurities in silicon
MINICHINO, Camilla
1988-01-01
Abstract
The X-Si4H12 and X-Si20H28 (X = P or N) cluster models were studied by the MNDO method. Energy levels of all the model clusters are reported. Both the highest occupied and lowest empty one-electron levels are localized. In the case of P impurity, the initial on-center arrangement corresponds to an abs. min. energy leading to 4-equiv. Si-P bond lengths of 0.235 nm.File in questo prodotto:
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