001     826068
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024 7 _ |2 doi
|a 10.1103/PhysRevB.93.235429
024 7 _ |2 ISSN
|a 0163-1829
024 7 _ |2 ISSN
|a 0556-2805
024 7 _ |2 ISSN
|a 1094-1622
024 7 _ |2 ISSN
|a 1095-3795
024 7 _ |2 ISSN
|a 1098-0121
024 7 _ |2 ISSN
|a 1550-235X
024 7 _ |2 ISSN
|a 2469-9950
024 7 _ |2 ISSN
|a 2469-9969
024 7 _ |2 Handle
|a 2128/13425
024 7 _ |2 WOS
|a WOS:000378050600006
037 _ _ |a FZJ-2017-00328
041 _ _ |a English
082 _ _ |a 530
100 1 _ |0 P:(DE-HGF)0
|a Bauer, O.
|b 0
245 _ _ |a Au enrichment and vertical relaxation of the Cu$_{3}$ Au ( 111 ) surface studied by normal-incidence x-ray standing waves
260 _ _ |a Woodbury, NY
|b Inst.
|c 2016
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520 _ _ |a We have investigated the Cu3Au(111) surface, prepared under ultrahigh vacuum conditions by sputtering and annealing, by low energy electron diffraction (LEED), scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy, and normal incidence x-ray standing waves (NIXSW). We find the surface to be depleted with Cu and enriched with Au at the same time, yielding a nominal Cu:Au ratio of 0.61:0.39 in the topmost layer. The STM images reveal that the first layer is nearly closely filled with atoms and contains a small amount of vacancies with an area concentration of about 5%. Together with the Au enrichment, these cause local short-range disorder of the Au p(2×2) reconstruction. From this data, the average stoichiometry of the p(2×2) surface unit cell is estimated at Cu2.22Au1.44□0.20 (instead of Cu3.00Au1.00□0.00 of the ideal surface; □ denotes an atomic vacancy site). From NIXSW we find a significant outward relaxation of both the Cu and Au atoms of the topmost layer by 0.28 Å and 0.33 Å, which corresponds to 13% and 15% of the (111) bulk layer spacing of Cu3Au. We suggest that this originates from a widening of the first/second layer spacing, by 6.8% and 8.8% for the Cu and Au atoms, respectively, plus an additional rigid increase in the second/third layer spacing by 6.2%. We explain this by steric repulsions between Au atoms of the topmost layer, replacing smaller Cu atoms, and Au atoms in the second layer in combination with disorder. Finally, a lateral reconstruction, similar to that on the Au(111) surface, but with a much larger periodicity of 290 Å, is identified from LEED.
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542 _ _ |i 2016-06-16
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773 1 8 |a 10.1103/physrevb.93.235429
|b American Physical Society (APS)
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|n 23
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|v 93
|y 2016
|x 2469-9950
773 _ _ |a 10.1103/PhysRevB.93.235429
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Marc 21