DFT study of a singleF center in cubic SrTiO3 perovskite
作者： R. A. Evarestov , E. A. Kotomin , Yu. F. Zhukovskii
DOI: 10.1002/QUA.20855
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摘要: … In the present work, we analyze the results of both CRYSTAL 19 and VASP 20 DFT calculations on the F center in a cubic phase of SrTiO 3 perovskite, combining advantages of LCAO …
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