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The microscopic origin of chemical expansion in perovskite oxides, due to formation of oxygen vacancies accompanied by formal reduction of a 3d transition metal, is studied by first-principles calc... Click to show full abstract
The microscopic origin of chemical expansion in perovskite oxides, due to formation of oxygen vacancies accompanied by formal reduction of a 3d transition metal, is studied by first-principles calc...
Keywords:
localization chemical;
link electron;
expansion;
electron localization;
microscopic link;
chemical expansion
Journal Title: Journal of Physical Chemistry C
Year Published: 2020
Link to full text (if available)
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Journal Title: Journal of Physical Chemistry C
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!