Electronic band structure and optical phonons of BaSnO 3 and Ba 0.97La 0.03SnO 3 single crystals: Theory and experiment

Document Type

Article

Publication Date

8-15-2012

Abstract

Optical properties of insulating BaSnO 3 (BSO) and conducting Ba 0.97La 0.03SnO 3 (BLSO) single crystals were studied at room temperature in a wide spectral range between 0.01 and 5.9 eV by means of spectroscopic ellipsometry. The far-infrared spectra of the optical phonons in BSO and BLSO were complemented by polarized Raman scattering measurements in BSO. The electronic band structure and the optical response (dielectric function) were calculated using density functional theory, which allowed for the interpretation of the main spectroscopic features such as optical phonons and electronic interband transitions. To reconcile the observed experimental spectra with the theory, a departure from the ideal perovskite structure on the local scale was proposed for BSO. © 2012 American Institute of Physics.

Identifier

84865852830 (Scopus)

Publication Title

Journal of Applied Physics

External Full Text Location

https://doi.org/10.1063/1.4748309

ISSN

00218979

Issue

4

Volume

112

Grant

DE-FG02-07ER46382

Fund Ref

U.S. Department of Energy

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