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Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides. / Smirnov, M.; Kuznetsov, V.; Roginskii, E.; Cornette, J.; Dutreilh-Colas, M.; Noguera, O.; Masson, O.; Thomas, P.

In: Journal of Physics: Condensed Matter, Vol. 30, No. 47, 475403, 05.11.2018.

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

Harvard

Smirnov, M, Kuznetsov, V, Roginskii, E, Cornette, J, Dutreilh-Colas, M, Noguera, O, Masson, O & Thomas, P 2018, 'Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides', Journal of Physics: Condensed Matter, vol. 30, no. 47, 475403. https://doi.org/10.1088/1361-648X/aae811

APA

Smirnov, M., Kuznetsov, V., Roginskii, E., Cornette, J., Dutreilh-Colas, M., Noguera, O., Masson, O., & Thomas, P. (2018). Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides. Journal of Physics: Condensed Matter, 30(47), [475403]. https://doi.org/10.1088/1361-648X/aae811

Vancouver

Smirnov M, Kuznetsov V, Roginskii E, Cornette J, Dutreilh-Colas M, Noguera O et al. Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides. Journal of Physics: Condensed Matter. 2018 Nov 5;30(47). 475403. https://doi.org/10.1088/1361-648X/aae811

Author

Smirnov, M. ; Kuznetsov, V. ; Roginskii, E. ; Cornette, J. ; Dutreilh-Colas, M. ; Noguera, O. ; Masson, O. ; Thomas, P. / Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides. In: Journal of Physics: Condensed Matter. 2018 ; Vol. 30, No. 47.

BibTeX

@article{53eb7dd9d8c3401a918c9f2ea8fba265,
title = "Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides",
abstract = "Raman spectra of the mixed crystalline oxides of the (1 - x)TeO2 + xTeO3 (x = 0, 1/4, 1/2, 1) series were recorded and simulated by using the DFT calculations. Good agreement between observed and calculated Raman spectra makes it possible to establish unambiguous assignment for all prominent Raman lines. This result gives an insight into relations between structural peculiarities and observed spectral features for the crystals promising as nonlinear optical materials. Highlights • Several mixed TeO2-TeO3 crystals were synthesized by solid-state chemistry • DFT calculations well describe structures and phonon spectra of TeO2-TeO3 oxides • Raman lines can be assigned to internal vibrations of TeO4 and TeO6 polyhedrons • Observed Raman bands can be used as fingerprints of different structural units.",
keywords = "ab initio calculations, crystal structure, lattice dynamics, optical materials, Raman spectra",
author = "M. Smirnov and V. Kuznetsov and E. Roginskii and J. Cornette and M. Dutreilh-Colas and O. Noguera and O. Masson and P. Thomas",
year = "2018",
month = nov,
day = "5",
doi = "10.1088/1361-648X/aae811",
language = "English",
volume = "30",
journal = "Journal of Physics Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing Ltd.",
number = "47",

}

RIS

TY - JOUR

T1 - Raman spectra and structural peculiarities of TeO2-TeO3 mixed oxides

AU - Smirnov, M.

AU - Kuznetsov, V.

AU - Roginskii, E.

AU - Cornette, J.

AU - Dutreilh-Colas, M.

AU - Noguera, O.

AU - Masson, O.

AU - Thomas, P.

PY - 2018/11/5

Y1 - 2018/11/5

N2 - Raman spectra of the mixed crystalline oxides of the (1 - x)TeO2 + xTeO3 (x = 0, 1/4, 1/2, 1) series were recorded and simulated by using the DFT calculations. Good agreement between observed and calculated Raman spectra makes it possible to establish unambiguous assignment for all prominent Raman lines. This result gives an insight into relations between structural peculiarities and observed spectral features for the crystals promising as nonlinear optical materials. Highlights • Several mixed TeO2-TeO3 crystals were synthesized by solid-state chemistry • DFT calculations well describe structures and phonon spectra of TeO2-TeO3 oxides • Raman lines can be assigned to internal vibrations of TeO4 and TeO6 polyhedrons • Observed Raman bands can be used as fingerprints of different structural units.

AB - Raman spectra of the mixed crystalline oxides of the (1 - x)TeO2 + xTeO3 (x = 0, 1/4, 1/2, 1) series were recorded and simulated by using the DFT calculations. Good agreement between observed and calculated Raman spectra makes it possible to establish unambiguous assignment for all prominent Raman lines. This result gives an insight into relations between structural peculiarities and observed spectral features for the crystals promising as nonlinear optical materials. Highlights • Several mixed TeO2-TeO3 crystals were synthesized by solid-state chemistry • DFT calculations well describe structures and phonon spectra of TeO2-TeO3 oxides • Raman lines can be assigned to internal vibrations of TeO4 and TeO6 polyhedrons • Observed Raman bands can be used as fingerprints of different structural units.

KW - ab initio calculations

KW - crystal structure

KW - lattice dynamics

KW - optical materials

KW - Raman spectra

UR - http://www.scopus.com/inward/record.url?scp=85056259009&partnerID=8YFLogxK

U2 - 10.1088/1361-648X/aae811

DO - 10.1088/1361-648X/aae811

M3 - Article

C2 - 30398161

AN - SCOPUS:85056259009

VL - 30

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

SN - 0953-8984

IS - 47

M1 - 475403

ER -

ID: 36166196