Self-consistent calculation of the structural properties of silicon
- 15 November 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (10) , 4251-4255
- https://doi.org/10.1103/physrevb.20.4251
Abstract
The structural properties of silicon are self-consistently calculated by using two different models for the ionic pseudopotential . The use of the ion recently suggested by Harris and Jones improves significantly the results for the lattice constant and the bulk modulus obtained with other pseudopotentials. Furthermore, a value of 4.05 eV for the binding energy is obtained in close agreement with the experimental value.
Keywords
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