Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces
作者： Juris Purans , Roberts Eglitis , Ran Jia
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摘要: We performed, to the best of our knowledge, the world’s first first-principles calculations for the WO 2 -terminated cubic WO 3 (001) surface and analyzed the systematic trends in the WO …
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