Intrinsic point-defect equilibria in tetragonal ZrO2: Density functional theory analysis with finite-temperature effects

Youssef, Mostafa; Yildiz, Bilge

doi:10.1103/PhysRevB.86.144109

Title: Intrinsic point-defect equilibria in tetragonal ZrO₂: Density functional theory analysis with finite-temperature effects

Journal Article · Tue Oct 09 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.86.144109· OSTI ID:1101555

Youssef, Mostafa; Yildiz, Bilge

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Sponsoring Organization:: USDOE

OSTI ID:: 1101555

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Vol. 86 Journal Issue: 14; ISSN 1098-0121

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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References (63)

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Title: Intrinsic point-defect equilibria in tetragonal ZrO₂: Density functional theory analysis with finite-temperature effects