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First-principles calculations in the framework of the generalized gradient approximation together with U on-site Coulomb corrections in the GGA + U approach to density functional theory (DFT) are p... Click to show full abstract
First-principles calculations in the framework of the generalized gradient approximation together with U on-site Coulomb corrections in the GGA + U approach to density functional theory (DFT) are p...
Keywords:
oxygen mediated;
impact structural;
interactions impact;
superexchange interactions;
mediated superexchange;
structural stability
Journal Title: Journal of Physical Chemistry C
Year Published: 2020
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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!