Regensburg 1998 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 24: Poster II

HL 24.49: Poster

Mittwoch, 25. März 1998, 10:30–19:00, A

Calculated optical spectra of LaTiO₃ — •O.V. Krasovska ¹, V.N. Antonov ², and W. Schattke ¹ — ¹Institut für Theoretische Physik, Christian-Albrechts-Universität, Leibnizstrasse 15, D-24118 Kiel — ²Institute of Metal Physics National Academy of Sciences of Ukraine, Vernadskogo 36, 252680, Kiev-142, Ukraine

Optical properties of LaTiO₃ are explained in terms of direct interband transitions. The energy band structure of LaTiO₃ is calculated with the ab initio semi-relativistic extended linear augmented plane wave method (ELAPW). The density-of-states function is compared with XPS and UPS experiments and with previous calculations. Calculated optical spectra for a model cubic crystal yield a very good agreement with measurements in a wide energy region.