Local-density-pseudofunction theory of bulk Si
- 15 July 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 38 (3) , 2176-2178
- https://doi.org/10.1103/physrevb.38.2176
Abstract
The pseudofunction implementation of local-density theory for Si is shown to produce the accepted results: a bond length of 2.34 Å, a bulk modulus of =1.03 Mbar, a pressure derivative of the bulk modulus of /dp=3.44, and a band structure in agreement with previous calculations and many data.
Keywords
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