First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
Author:
Affiliation:
1. Institute of Solid State Physics, University of Latvia, Riga L V-1 063, Latvia
2. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China
Publisher
AIP Publishing
Subject
General Physics and Astronomy,Physics and Astronomy (miscellaneous)
Link
http://aip.scitation.org/doi/pdf/10.1063/10.0002475
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5. Local disorder and water uptake in La1–Sr ScO3–δ
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