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

doi:10.1063/1.4748309

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

Physics

Research output: Contribution to journal › Article › peer-review

74 Scopus citations

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 language	English (US)
Article number	044108
Journal	Journal of Applied Physics
Volume	112
Issue number	4
DOIs	https://doi.org/10.1063/1.4748309
State	Published - Aug 15 2012

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

Access to Document

10.1063/1.4748309

Cite this

@article{784ab5c14e4641548106047c796bf9ac,

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

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.",

author = "Stanislavchuk, {T. N.} and Sirenko, {A. A.} and Litvinchuk, {A. P.} and X. Luo and Cheong, {S. W.}",

note = "Funding Information: Experimental work at NJIT and Rutgers was supported by DOE DE-FG02-07ER46382. A.P.L. acknowledges the support of the State of Texas through the Texas Center for Superconductivity at the University of Houston. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Near-IR-VIS ellipsometry measurements at the Center for Functional Nanomaterials, Brookhaven National Laboratory, have been supported by DOE DE-AC02-98CH10886.",

year = "2012",

month = aug,

day = "15",

doi = "10.1063/1.4748309",

language = "English (US)",

volume = "112",

journal = "Journal of Applied Physics",

issn = "0021-8979",

publisher = "American Institute of Physics",

number = "4",

}

TY - JOUR

T1 - Electronic band structure and optical phonons of BaSnO 3 and Ba 0.97La 0.03SnO 3 single crystals

T2 - Theory and experiment

AU - Stanislavchuk, T. N.

AU - Sirenko, A. A.

AU - Litvinchuk, A. P.

AU - Luo, X.

AU - Cheong, S. W.

N1 - Funding Information: Experimental work at NJIT and Rutgers was supported by DOE DE-FG02-07ER46382. A.P.L. acknowledges the support of the State of Texas through the Texas Center for Superconductivity at the University of Houston. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Near-IR-VIS ellipsometry measurements at the Center for Functional Nanomaterials, Brookhaven National Laboratory, have been supported by DOE DE-AC02-98CH10886.

PY - 2012/8/15

Y1 - 2012/8/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84865852830&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84865852830&partnerID=8YFLogxK

U2 - 10.1063/1.4748309

DO - 10.1063/1.4748309

M3 - Article

AN - SCOPUS:84865852830

SN - 0021-8979

VL - 112

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 4

M1 - 044108

ER -

Electronic band structure and optical phonons of BaSnO ₃ and Ba _0.97La _0.03SnO ₃ single crystals: Theory and experiment

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this