Ab initio optical conductivity in LaM (M=Ti–Cu)
Phys. Rev. B 54, 11271 – Published 15 October, 1996
DOI: https://doi.org/10.1103/PhysRevB.54.11271
Abstract
We report a theoretical study of the optical conductivity in LaM perovskites with 3d transition-metal elements (M=Ti–Cu). The calculations have been performed in the framework of the self-consistent linear muffin-tin-orbital method. The usual cubic structure is considered for the paramagnetic phase, whereas A-, C-, or G-type magnetic crystal structures are considered for the magnetic phases according to the experimental observations. We obtain a rather satisfactory agreement with available experimental data. The origins of the positions and relative intensities of peaks and different structures are satisfactorily explained by the present energy-band calculation. © 1996 The American Physical Society.