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- W1966019087 abstract "We report results of the first ab initio self-consistent (SC) calculations of the electronic structure of a Cu (001) monolayer using the newly developed numerical-basis-set linear-combination-of-atomic-orbitals method for thin films. The $d$ holes found in the non-SC calculations of Cooper, and in those reported here, are not found to exist when the calculations are carried to self-consistency. The calculated narrowing of the $d$-band width of the monolayer relative to the bulk is consistent with several photoemission experiments." @default.
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- W1966019087 date "1978-08-15" @default.
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- W1966019087 title "Self-consistent studies of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>d</mml:mi></mml:math>holes and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>d</mml:mi></mml:math>-band narrowing in a Cu (001) monolayer" @default.
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- W1966019087 doi "https://doi.org/10.1103/physrevb.18.1714" @default.
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