Abstract
Optical matrix elements have been derived for crystals by applying the theory of optical transitions within the formalism of the linear muffin-tin-orbital band-structure method and using Racah algebra. A Brillouin-zone integration by the tetrahedron method allows straightforward numerical computation of the optical function (ω) [or σ(ω)]. Other optical functions may be derived by using a Kramers-Kronig analysis.
- Received 29 June 1988
DOI:https://doi.org/10.1103/PhysRevB.39.1884
©1989 American Physical Society