Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

Published 2015 View Full Article

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Title
Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations
Authors
Keywords
Strain, Oxygen vacancies, Density functional theory, Chemical expansion, Interfaces
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 99, Issue -, Pages 298-305
Publisher
Elsevier BV
Online
2015-01-21
DOI
10.1016/j.commatsci.2014.12.030

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