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

T. N. Stanislavchuk, A. A. Sirenko, A. P. Litvinchuk, X. Luo, S. W. Cheong

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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.

Original languageEnglish (US)
Article number044108
JournalJournal of Applied Physics
Volume112
Issue number4
DOIs
StatePublished - Aug 15 2012

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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