Abstract
Selection rules for localized states in solids are derived on the basis of band representations of space groups. A scalar operator, e.g., the Hamiltonian, is considered in detail, and both selection rules and relations between matrix elements for localized functions are established. It is shown how the band symmetry and the tight-binding nature of a band can be used for a parametric band-structure calculation.
- Received 17 August 1981
DOI:https://doi.org/10.1103/PhysRevB.26.1959
©1982 American Physical Society