001     44062
005     20230426083054.0
017 _ _ |a This version is available at the following Publisher URL: http://prb.aps.org
024 7 _ |a 10.1103/PhysRevB.70.245432
|2 DOI
024 7 _ |a WOS:000226112300115
|2 WOS
024 7 _ |a 2128/1405
|2 Handle
037 _ _ |a PreJuSER-44062
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |a Da Silva, J. L. F.
|b 0
|u FZJ
|0 P:(DE-Juel1)VDB48337
245 _ _ |a Trend for the multilayer relaxation sequence of stepped Cu surfaces
260 _ _ |a College Park, Md.
|b APS
|c 2004
300 _ _ |a 245432
336 7 _ |a Journal Article
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336 7 _ |a article
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440 _ 0 |a Physical Review B
|x 1098-0121
|0 4919
|v 70
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a We investigate suggested multilayer relaxation trends for the stepped metal surfaces by performing density-functional theory calculations, within the generalized gradient approximation and employing the all-electron full-potential linearized augmented plane wave (FLAPW) method, for stepped Cu surfaces. We found that the atom-rows trend, which correlates the multilayer relaxation sequence of stepped metal surfaces with the number of atom rows in the terrace, is not as general as has been assumed. While it holds true for closed stepped surfaces it does not apply for more open surfaces such as for Cu(320) and Cu(410). For example, we found relaxation sequences like ----+-. for both surfaces, instead of the expected --+-. and ---+-., respectively. The - and + signs indicate contraction and expansion, respectively, of the interlayer spacing. Our results show that the relaxation sequence of eleven stepped Cu surfaces, namely, (110), (311), (331), (211), (511), (210), (221), (711), (911), (410), and (320), follows the nearest-neighbor coordination trend, which correlates the relaxation sequence of the topmost interlayer spacings with the nearest-neighbor coordination number of the topmost surface atomic layers. Therefore, the reduction of the atomic coordination plays a stronger role in the relaxation sequences of stepped metal surfaces than the number of atoms exposed to the vacuum region.
536 _ _ |a Kondensierte Materie
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542 _ _ |i 2004-12-29
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588 _ _ |a Dataset connected to Web of Science
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700 1 _ |a Schroeder, K.
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700 1 _ |a Blügel, S.
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773 1 8 |a 10.1103/physrevb.70.245432
|b American Physical Society (APS)
|d 2004-12-29
|n 24
|p 245432
|3 journal-article
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|t Physical Review B
|v 70
|y 2004
|x 1098-0121
773 _ _ |a 10.1103/PhysRevB.70.245432
|g Vol. 70, p. 245432
|p 245432
|n 24
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|t Physical review / B
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|y 2004
|x 1098-0121
856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.70.245432
|u http://hdl.handle.net/2128/1405
856 4 _ |u https://juser.fz-juelich.de/record/44062/files/62427.pdf
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920 1 _ |k IFF-TH-I
|l Theorie I
|d 31.12.2006
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920 1 _ |k IFF-TH-III
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999 C 5 |a 10.1016/S0039-6028(01)01565-5
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |1 M.-C. Desjonquères
|y 1995
|2 Crossref
|t Concepts in Surface Science
|o M.-C. Desjonquères Concepts in Surface Science 1995
999 C 5 |a 10.1016/0039-6028(88)90086-6
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/0038-1098(91)90631-5
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1142/S0218625X99000858
|9 -- missing cx lookup --
|1 Y. P. Guo
|p 819 -
|2 Crossref
|t Surf. Sci. Lett.
|v 6
|y 1999
999 C 5 |a 10.1116/1.581864
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.62.12844
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.61.4904
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.63.155407
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/S0039-6028(02)01100-7
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.68.115420
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.59.15446
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.35.7952
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/0039-6028(89)90586-4
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.44.8927
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/0039-6028(92)90679-Z
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.47.9751
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.55.13894
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/S0039-6028(98)00118-6
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/S0039-6028(98)00476-2
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.67.205406
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/j.susc.2004.03.035
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.57.10062
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.64.115401
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/S0039-6028(01)01173-6
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.65.115405
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/S0039-6028(03)00783-0
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.69.245411
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1016/j.susc.2003.11.022
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.69.045408
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1088/0305-4608/4/3/002
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRev.60.661
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRev.136.B864
|9 -- missing cx lookup --
|1 P. Hohenberg
|p 864 -
|2 Crossref
|t Phys. Rev.
|v 136
|y 1964
999 C 5 |a 10.1103/PhysRev.140.A1133
|9 -- missing cx lookup --
|1 W. Kohn
|p 1133 -
|2 Crossref
|t Phys. Rev.
|v 140
|y 1965
999 C 5 |a 10.1103/PhysRevLett.77.3865
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1007/978-1-4757-2312-0
|1 D. J. Singh
|2 Crossref
|9 -- missing cx lookup --
|y 1994
999 C 5 |a 10.1103/PhysRevB.19.1706
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1103/PhysRevB.13.5188
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |1 F. D. Murnaghan
|y 1944
|2 Crossref
|o F. D. Murnaghan 1944
999 C 5 |1 C. Kittel
|y 1996
|2 Crossref
|t Introduction to Solid State Physics
|o C. Kittel Introduction to Solid State Physics 1996
999 C 5 |a 10.1103/PhysRevB.46.2532
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |a 10.1063/1.1749514
|1 L. Pauling
|2 Crossref
|9 -- missing cx lookup --
|y 1960


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