Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Subject "(111) surfaces"

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Systematic trends in YAlO3, SrTiO3, BaTiO3, BaZrO3 (001) and (111) surface ab initio calculations

Eglitis, Roberts; Purans, Juris; Popov, Anatoli I.; Jia, Ran (World Scientific Publishing, 2019)

The paper presents and discusses the results of performed calculations for YAlO3 (111) surfaces using a hybrid B3LYP description of exchange and correlation. Calculation results for SrTiO3, BaTiO3 and BaZrO3 (111) as well ...