Application of the Orthogonalized Plane-Wave Method to Silicon Crystal
- 1 September 1956
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 103 (5) , 1159-1166
- https://doi.org/10.1103/physrev.103.1159
Abstract
Approximate solutions for k=0 of the Hartree-Fock-Slater equations for a perfect silicon crystal have been obtained by the orthogonalized plane-wave method. Estimates of the energy eigenvalues of the valence and conduction states for k=0 are given. A simple method for obtaining a first approximation to the crystal potential and its Fourier coefficients was used. Approximate analytic wave functions and corresponding energy eigenvalues for the , , and states in the isolated silicon atom were determined by a variational technique.
Keywords
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