Numerically improved computational scheme for the optical conductivity tensor in layered systems

Details Numerically improved computational scheme for the optical conductivity tensor in layered systems Numerically improved computational scheme for the optical conductivity tensor in layered systems

2000-12-11

arxiv.org/abs/cond-mat/0012175v1

Physics

Condensed Matter

Materials Science

17 pages, LaTeX + 4 figures (Encapsulated PostScript), submitted to J. Phys.: Condensed Matter (19 Sept. 2000)

Scientific paper

10.1088/0953-8984/13/7/314

The contour integration technique applied to calculate the optical conductivity tensor at finite temperatures in the case of layered systems within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker band structure method is improved from the computational point of view by applying the Gauss-Konrod quadrature for the integrals along the different parts of the contour and by designing a cumulative special points scheme for two-dimensional Brillouin zone integrals corresponding to cubic systems.

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