Application of the linear muffin-tin-orbital band-structure method to calculate optical properties of solids
- 15 January 1989
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (3), 1884-1890
- https://doi.org/10.1103/physrevb.39.1884
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.
Keywords
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