Pseudopotential approach to total energy calculations in narrow GAP semiconductors
1982
A new approximation is proposed for total energy calculations in semiconductors. The various contributions to the total energy are separately analyzed on the basis of a simple model of the interatomic interactions. The approximation allows a clear distinction to be made between a structure independent and a structure dependent part. The latter can be easily computed through the pseudopotential method while the former is obtained from electron gas theory.
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