Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computatio...
Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
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Basel: MDPI AG
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English
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Basel: MDPI AG
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We computed the atomic shift sizes of the closest adjacent atoms adjoining the (001) surface F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the closest adjacent atoms adjoining the bulk F-center. In the ABO3 perovskite matrixes, the electron charge is significantly stronger confined in the interior of the...
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Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
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TN_cdi_proquest_journals_2584537760
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2584537760
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2073-8994
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2073-8994
DOI
10.3390/sym13101920
