Crystals under Strain: Symmetry Considerations.
WATERVLIET ARSENAL N Y
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The application of Group Theory to the calculation of electronic energy shifts in ordered crystals under strain considerably simplifies the computational effort and presentation of results. A perturbation approach to such calculation is outlined. To make full use of Group Theory arbitrary strains must first be decomposed into component strains and the point groups associated with the particular component strains must be known. This report indicates how one determines these associations and describes the simplifying relations which exist due to symmetry alone. Specific examples for deformations of cubic, hexagonal, and tetragonal crystals are given. Author
- Numerical Mathematics