Self-Consistent Calculation Of The Surface Electronic-Structure Of The (1x2) Reconstructed Au(110) Surface

PHYSICAL REVIEW B(1989)

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摘要
Surface bands and the projected bulk band structures along the \\ensuremath{\\Gamma}\\ifmmode\\bar\\else\\textasciimacron\\fi{}--X\\ifmmode\\bar\\else\\textasciimacron\\fi{}--S\\ifmmode\\bar\\else\\textasciimacron\\fi{}'--Y\\ifmmode\\bar\\else\\textasciimacron\\fi{}'--\\ensuremath{\\Gamma}\\ifmmode\\bar\\else\\textasciimacron\\fi{} lines in the two-dimensional Brillouin zone for the (1\\ifmmode\\times\\else\\texttimes\\fi{}2) Au(110) reconstructed surface are obtained using self-consistent first-principles calculations. Our results agree well with the inverse-photoemission data reported by Bartynski and Gustafsson.
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关键词
brillouin zone,band structure,electronic structure,electron density
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