Interpreting STM images of the MnCu/Cu(100) surface alloy

Citation
D. Wortmann et al., Interpreting STM images of the MnCu/Cu(100) surface alloy, PHYS REV B, 62(4), 2000, pp. 2862-2868
Citations number
36
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
4
Year of publication
2000
Pages
2862 - 2868
Database
ISI
SICI code
0163-1829(20000715)62:4<2862:ISIOTM>2.0.ZU;2-S
Abstract
c(2 X 2)MnCu/Cu(100) is an ordered two-dimensional surface alloy that exhib its a checkerboard arrangement of Mn and Cu atoms on the Cu(100) surface. M n buckles outwards by 0.3 Angstrom with respect to Cv and in all previous s canning tunneling microscopy (STM) experiments only one chemical species wa s imaged which was assumed to be Mn. We analyze the STM results by first-pr inciples calculations based on the density-functional theory and show that Cu rather than Mn is imaged, while indeed Mn is imaged as single Mn impurit ies at Cu(100). We explain this result in terms of the formation of Mn stat es bridging over the Cu atoms. These Mn states are characteristic for Mn in a c(2X2)MnCu surface alloy. Missing Mn atoms break this bridging bond and the surrounding Cu atoms are imaged as depressions.