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- W2073451010 abstract "The ensuremath{Gamma}--M Be surface state found in two recent experiments is confirmed to be highly localized by a study of local density electronic states near the Fermi level of ultrathin Be films (n layers with n=1, 2, and 3). For n=3, a state at ensuremath{Gamma} is found 2.0 eV below ${ensuremath{varepsilon}}_{F}$ (experiment: 2.8 eV) and 1.9 eV above the film level which corresponds to the bulk band edge (experiment: 2.0 eV); good agreement in view of known limitations of local-density-approximation one-electron energies. That state at ensuremath{Gamma} falls in energy and its intersection with ${ensuremath{varepsilon}}_{F}$ along both ensuremath{Gamma}--M and ensuremath{Gamma}--K moves out from ensuremath{Gamma} with increasing n. The n-layer occupied states at M are not uniquely identifiable with either pure bulk or pure surface states, this is again in agreement with experimental indications that they are rather delocalized (as opposed to the one at ensuremath{Gamma}). The surface core-level 1s shift is estimated from the three-layer film (the thinnest system which can exhibit such a shift) as 0.21 eV (experiment: 0.50 eV). Previous restricted Hartree-Fock calculations on bulk and ultrathin-film Be differ markedly both from these results and from experiment; the discrepancies and their sources are considered." @default.
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- W2073451010 date "1986-09-15" @default.
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- W2073451010 title "Electronic surface states in beryllium" @default.
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- W2073451010 doi "https://doi.org/10.1103/physrevb.34.3604" @default.
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