First‐principles study of the atomic structures, electronic properties, and surface stability of BaTiO3 (001) and (011) surfaces
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DOI: 10.1002/sia.6688
Abstract: The atomic structures, electronic properties, and surface stability of (001) and (011) surfaces of BaTiO3 are studied by first‐principles calculations. Four differently terminated BaTiO3 surfaces are considered in this study, including (001)‐BaO, (001)‐TiO2, (011)‐BaTiO, and… read more here.
Keywords: 011 surfaces; 001 011; surface; atomic structures ... See more keywords
Density-functional study of the La2Zr2O7 low-index surfaces
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DOI: 10.1016/j.susc.2018.04.010
Abstract: Abstract To explain the ability of lanthanum zirconate (La 2 Zr 2 O 7 , LZ) and various doped forms of LZ to function as catalysts, an understanding of LZ surface structures is needed. Accordingly,… read more here.
Keywords: surface; 011 111; density functional; 001 011 ... See more keywords
Anisotropic Resistivity Size Effect in Epitaxial Mo(001) and Mo(011) Layers
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DOI: 10.3390/nano13060957
Abstract: Mo(001) and Mo(011) layers with thickness d = 4–400 nm are sputter-deposited onto MgO(001) and α-Al2O3(112¯0) substrates and their resistivity is measured in situ and ex situ at room temperature and 77 K in order… read more here.
Keywords: size effect; resistivity size; resistivity; 001 011 ... See more keywords