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Physical Sciences and Mathematics Commons

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1989

Physics

Band-Structure Method

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Full-Text Articles in Physical Sciences and Mathematics

Application Of The Linear Muffin-Tin-Orbital Band-Structure Method To Calculate Optical Properties Of Solids, R. Zemach, J. Ashkenazi, E. Ehrenfreund Jan 1989

Application Of The Linear Muffin-Tin-Orbital Band-Structure Method To Calculate Optical Properties Of Solids, R. Zemach, J. Ashkenazi, E. Ehrenfreund

Physics Articles and Papers

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 ε2(ω) [or σ(ω)]. Other optical functions may be derived by using a Kramers-Kronig analysis.