Journal article

Ab initio study of the vibrational properties of crystalline TeO2: The alpha, beta, and gamma phases

Abstract:: Based on density functional perturbation theory, we have studied the vibrational properties of three crystalline phases of tellurium dioxide: paratellurite alpha-TeO2, tellurite beta-TeO2, and the new phase gamma-TeO2, recently identified experimentally. Calculated Raman and IR spectra are in good agreement with available experimental data. The vibrational spectra of alpha- and beta-TeO2 can be interpreted in terms of vibrations of TeO2 molecular units.

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APA Style

Ceriotti, M., Pietrucci, F., & Bernasconi, M. (2008). Ab initio study of the vibrational properties of crystalline TeO2: The alpha, beta, and gamma phases. Physical Review B, 73(10), 104304.

MLA Style

Ceriotti, M, et al. “Ab Initio Study of the Vibrational Properties of Crystalline TeO2: The Alpha, Beta, and Gamma Phases.” Physical Review B, vol. 73, no. 10, 2008, p. 104304.

Chicago Style

Ceriotti, M, F Pietrucci, and M Bernasconi. 2008. “Ab Initio Study of the Vibrational Properties of Crystalline TeO2: The Alpha, Beta, and Gamma Phases.” Physical Review B 73 (10): 104304.
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Publisher copy:: 10.1103/PhysRevB.73.104304

Authors

+ Ceriotti, M More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

+ Pietrucci, F More by this author

Role:: Author

+ Bernasconi, M More by this author

Role:: Author

Journal:: Physical Review B More from this journal
Volume:: 73
Issue:: 10
Pages:: 104304
Publication date:: 2008-03-28
DOI:: 10.1103/PhysRevB.73.104304
EISSN:: 1550-235X
ISSN:: 1098-0121

Language:: English
Keywords:: cond-mat.mtrl-sci
Pubs id:: pubs:284055
UUID:: uuid:30bd1f27-2c7e-4dd9-bd17-6b03c68d19d3
Local pid:: pubs:284055
Source identifiers:: 284055
Deposit date:: 2012-12-19
ARK identifier:: ark:/29072/ora_30bd1f272c7e4dd9bd176b03c68d19d3

Terms of use

Copyright date:: 2008

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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