Calculation of structurally related properties of bulk and surface Si
- 15 February 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 21 (4) , 1527-1536
- https://doi.org/10.1103/physrevb.21.1527
Abstract
The self-consistent pseudopotential method is applied to study the bulk and surface structurally related properties of Si. Equilibrium configurations are determined by minimizing the total energy of the system; the calculated bulk properties and the surface relaxation of Si are found to be in good agreement with experiment. The surface energy and the surface reconstruction of Si are briefly discussed.This publication has 37 references indexed in Scilit:
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