RSC Adv.
 2024
DOI: 10.1039/d4ra07774a
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Evaluation of first-principles Hubbard and Hund corrected DFT for defect formation energies in non-magnetic transition metal oxides

Daniel S. Lambert,
David D. O'Regan

Abstract: A cost-effective and fast DFT+U+J technique qualitatively matches with expensive simulations for defect simulations.

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