Publication
Physical Review B
Paper

Theoretical and experimental studies of band formation in CO adlayers

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Abstract

We have performed electronic-structure calculations using the extended tight-binding method for two-dimensional isolated layers of CO molecules corresponding to the ordered arrays formed on a Pd(100) surface. We find that the calculated width and shape of the 4-derived band is in good agreement with angular-resolved photoemission results from this system. The calculated widths of the 5- and 1-derived bands are much greater than that of the 4-derived band, reflecting their more delocalized nature. In the photoemission experiment some dispersion is detected on the 5+1composite level but it was not possible to separate out the component bands. © 1979 The American Physical Society.

Date

15 Jul 1979

Publication

Physical Review B

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