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- W2034157426 abstract "We define five formulae which evaluate the reliability of a given surface structure analysis by calculating numerical values based on the degree of agreement between calculated and measured low-energy electron diffraction (LEED) intensity-voltage (I–V) curves. These so-called reliability factors (R-factors) are tested on three surface systems previously investigated by visual judgment. It is found that in each case, the R-factors are able to pick out unambiguously a single optimal surface structure. The five R-factors, used collectively, are sensitive to all features in an I–V curve deemed important in a theory-experiment comparison. Furthermore, the R-factors can determine best choices of dynamical inputs used in LEED calculations, e.g. the inelastic damping, inner potential, etc. These R-factors are easy to calculate and program. The program can be conveniently attached to any plotting routine of I–V curves, thus allowing simultaneous generation of I–V spectra and R-factor plots." @default.
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- W2034157426 date "1977-04-01" @default.
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- W2034157426 title "Surface structure refinements of 2HMoS2, 2HNbSe2 and W(100)p(2 × 1)O via new reliability factors for surface crystallography" @default.
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- W2034157426 doi "https://doi.org/10.1016/0039-6028(77)90259-x" @default.
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