Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Subject "(001) surface"

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Comparative ab initio calculations of reo3, srzro3, bazro3, pbzro3 and cazro3 (001) surfaces

Eglitis, Roberts; Purans, Juris; Gabrusenoks, Jevgenijs; Popov, Anatoli I.; Jia, Ran (MDPI AG, 2020)

We performed, for first time, ab initio calculations for the ReO2-terminated ReO3 (001) surface and analyzed systematic trends in the ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surfaces using first-principles calculations. ...