Abstract
We have calculated the electronic band structure of within the local-density approximation using the linear muffin-tin orbital method in the atomic sphere approximation as well as the full potential linear augmented plane-wave (FPLAPW) method. Using the self-consistent potentials, we have calculated the frequency dependent anisotropic dielectric functions and corresponding to the electric field parallel and perpendicular to the axis. The results of these calculations are compared with experimental data and show better agreement for the FPLAPW calculation. We have included the spin-orbit coupling in the calculation of the frequency dependent dielectric function using the FPLAPW and find the effect to be small.
- Received 14 September 1998
DOI:https://doi.org/10.1103/PhysRevB.60.8610
©1999 American Physical Society