A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution

Denis Gryaznov; Evgeny Blokhin; Alexandre Sorokine; Eugene A. Kotomin; Robert A. Evarestov; Annette Bussmann-Holder; Joachim Maier

doi:10.1021/jp400609e

journal article Jun 27, 2013

A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution

Denis Gryaznov Evgeny Blokhin

Alexandre Sorokine Eugene A. Kotomin

Robert A. Evarestov Annette Bussmann-Holder Joachim Maier

The Journal of Physical Chemistry C Vol. 117 No. 27 pp. 13776-13784 · American Chemical Society (ACS)

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Details

Published: Jun 27, 2013
Vol/Issue: 117(27)
Pages: 13776-13784

Authors

D

Denis Gryaznov

Max Planck Institute for Solid State Research, Stuttgart, Germany; Institute for Solid State Physics, University of Latvia, Riga, Latvia

E

Evgeny Blokhin

Max Planck Institute for Solid State Research, Stuttgart, Germany

A

Alexandre Sorokine

Institute for Solid State Physics, University of Latvia, Riga, Latvia

E

Eugene A. Kotomin

Max Planck Institute for Solid State Research, Stuttgart, Germany; Institute for Solid State Physics, University of Latvia, Riga, Latvia

R

Robert A. Evarestov

Department of Quantum Chemistry, St. Petersburg State University, Peterhof, Russia

A

Annette Bussmann-Holder

Max Planck Institute for Solid State Research, Stuttgart, Germany

J

Joachim Maier

Max Planck Institute for Solid State Research, Stuttgart, Germany

Cite This Article

Denis Gryaznov, Evgeny Blokhin, Alexandre Sorokine, et al. (2013). A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution. The Journal of Physical Chemistry C, 117(27), 13776-13784. https://doi.org/10.1021/jp400609e

A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution

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