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Relationship between atomic and electronic structure of clean and oxygen covered copper (110) surface

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Citation

Tjeng, L. H., Meinders, M. B. J., & Sawatzky, G. A. (1990). Relationship between atomic and electronic structure of clean and oxygen covered copper (110) surface. Surface Science, 233(1-2), 163-183. doi:10.1016/0039-6028(90)90187-D.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-1EDA-D
Abstract
We described the electronic band-structure of the clean and oxygen covered Cu(110) surface using a tight-binding method in a recursive layer by layer scheme. These are compared to angle-resolved ultraviolet photoelectron and angle-resolved inverse photoemission data. Good agreement for all (except image potential) surface states for the clean surface is obtained and also for the oxygen covered surface if the “ buckled-row” reconstruction is assumed, where alternate 〈001〉 copper rows are displaced outwardly by 0.6± 0.2 Å from the first layer and the oxygen atoms are located 0.1 ± 0.2 Å below these copper atoms. From this we conclude that the room temperature Cu(110)-p2 × 1-O superstructure is the result of a “buckled-row” reconstruction. The possibility of a “missing-row” reconstruction for the high temperature Cu(110)-p2 × 1-O superstructure is discussed.