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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
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.
Calculation Of Optical Properties Of Trans-Polyacetylene By The Linear Muffin-Tin-Orbital Method, R. Zemach, J. Ashkenazi, E. Ehrenfreund
Calculation Of Optical Properties Of Trans-Polyacetylene By The Linear Muffin-Tin-Orbital Method, R. Zemach, J. Ashkenazi, E. Ehrenfreund
Physics Articles and Papers
The basic optical properties of trans-(CH)x in the P21/n and the P21/a space groups are derived from first principles. The relevant optical matrix elements are calculated within the self-consistent linear muffin-tin-orbital band-structure method. The derived optical response functions are compared with the results from a variety of optical as well as electron-energy-loss experimental studies. It is shown that the measured optical constants are consistent with the P21/n structure.