000044062 001__ 44062
000044062 005__ 20230426083054.0
000044062 017__ $$aThis version is available at the following Publisher URL: http://prb.aps.org
000044062 0247_ $$2DOI$$a10.1103/PhysRevB.70.245432
000044062 0247_ $$2WOS$$aWOS:000226112300115
000044062 0247_ $$2Handle$$a2128/1405
000044062 037__ $$aPreJuSER-44062
000044062 041__ $$aeng
000044062 082__ $$a530
000044062 084__ $$2WoS$$aPhysics, Condensed Matter
000044062 1001_ $$0P:(DE-Juel1)VDB48337$$aDa Silva, J. L. F.$$b0$$uFZJ
000044062 245__ $$aTrend for the multilayer relaxation sequence of stepped Cu surfaces
000044062 260__ $$aCollege Park, Md.$$bAPS$$c2004
000044062 300__ $$a245432
000044062 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000044062 3367_ $$2DataCite$$aOutput Types/Journal article
000044062 3367_ $$00$$2EndNote$$aJournal Article
000044062 3367_ $$2BibTeX$$aARTICLE
000044062 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000044062 3367_ $$2DRIVER$$aarticle
000044062 440_0 $$04919$$aPhysical Review B$$v70$$x1098-0121
000044062 500__ $$aRecord converted from VDB: 12.11.2012
000044062 520__ $$aWe investigate suggested multilayer relaxation trends for the stepped metal surfaces by performing density-functional theory calculations, within the generalized gradient approximation and employing the all-electron full-potential linearized augmented plane wave (FLAPW) method, for stepped Cu surfaces. We found that the atom-rows trend, which correlates the multilayer relaxation sequence of stepped metal surfaces with the number of atom rows in the terrace, is not as general as has been assumed. While it holds true for closed stepped surfaces it does not apply for more open surfaces such as for Cu(320) and Cu(410). For example, we found relaxation sequences like ----+-. for both surfaces, instead of the expected --+-. and ---+-., respectively. The - and + signs indicate contraction and expansion, respectively, of the interlayer spacing. Our results show that the relaxation sequence of eleven stepped Cu surfaces, namely, (110), (311), (331), (211), (511), (210), (221), (711), (911), (410), and (320), follows the nearest-neighbor coordination trend, which correlates the relaxation sequence of the topmost interlayer spacings with the nearest-neighbor coordination number of the topmost surface atomic layers. Therefore, the reduction of the atomic coordination plays a stronger role in the relaxation sequences of stepped metal surfaces than the number of atoms exposed to the vacuum region.
000044062 536__ $$0G:(DE-Juel1)FUEK242$$2G:(DE-HGF)$$aKondensierte Materie$$cM02$$x0
000044062 542__ $$2Crossref$$i2004-12-29$$uhttp://link.aps.org/licenses/aps-default-license
000044062 588__ $$aDataset connected to Web of Science
000044062 650_7 $$2WoSType$$aJ
000044062 7001_ $$0P:(DE-Juel1)VDB3933$$aSchroeder, K.$$b1$$uFZJ
000044062 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b2$$uFZJ
000044062 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.70.245432$$bAmerican Physical Society (APS)$$d2004-12-29$$n24$$p245432$$tPhysical Review B$$v70$$x1098-0121$$y2004
000044062 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.70.245432$$gVol. 70, p. 245432$$n24$$p245432$$q70<245432$$tPhysical review / B$$v70$$x1098-0121$$y2004
000044062 8567_ $$uhttp://hdl.handle.net/2128/1405$$uhttp://dx.doi.org/10.1103/PhysRevB.70.245432
000044062 8564_ $$uhttps://juser.fz-juelich.de/record/44062/files/62427.pdf$$yOpenAccess
000044062 8564_ $$uhttps://juser.fz-juelich.de/record/44062/files/62427.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000044062 8564_ $$uhttps://juser.fz-juelich.de/record/44062/files/62427.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000044062 8564_ $$uhttps://juser.fz-juelich.de/record/44062/files/62427.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000044062 909CO $$ooai:juser.fz-juelich.de:44062$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000044062 9131_ $$0G:(DE-Juel1)FUEK242$$bMaterie$$kM02$$lKondensierte Materie$$vKondensierte Materie$$x0
000044062 9141_ $$y2004
000044062 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000044062 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000044062 9201_ $$0I:(DE-Juel1)VDB30$$d31.12.2006$$gIFF$$kIFF-TH-I$$lTheorie I$$x0
000044062 9201_ $$0I:(DE-Juel1)VDB32$$d31.12.2006$$gIFF$$kIFF-TH-III$$lTheorie III$$x1
000044062 970__ $$aVDB:(DE-Juel1)62427
000044062 980__ $$aVDB
000044062 980__ $$aJUWEL
000044062 980__ $$aConvertedRecord
000044062 980__ $$ajournal
000044062 980__ $$aI:(DE-Juel1)PGI-1-20110106
000044062 980__ $$aI:(DE-Juel1)PGI-2-20110106
000044062 980__ $$aUNRESTRICTED
000044062 980__ $$aFullTexts
000044062 9801_ $$aFullTexts
000044062 981__ $$aI:(DE-Juel1)PGI-1-20110106
000044062 981__ $$aI:(DE-Juel1)PGI-2-20110106
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(01)01565-5
000044062 999C5 $$1M.-C. Desjonquères$$2Crossref$$oM.-C. Desjonquères Concepts in Surface Science 1995$$tConcepts in Surface Science$$y1995
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(88)90086-6
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0038-1098(91)90631-5
000044062 999C5 $$1Y. P. Guo$$2Crossref$$9-- missing cx lookup --$$a10.1142/S0218625X99000858$$p819 -$$tSurf. Sci. Lett.$$v6$$y1999
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1116/1.581864
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.62.12844
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.4904
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.63.155407
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(02)01100-7
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.68.115420
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.15446
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.35.7952
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(89)90586-4
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.44.8927
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(92)90679-Z
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.47.9751
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.55.13894
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00118-6
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00476-2
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.67.205406
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2004.03.035
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.57.10062
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.115401
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(01)01173-6
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.115405
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(03)00783-0
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.245411
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2003.11.022
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.045408
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0305-4608/4/3/002
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.60.661
000044062 999C5 $$1P. Hohenberg$$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.136.B864$$p864 -$$tPhys. Rev.$$v136$$y1964
000044062 999C5 $$1W. Kohn$$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.140.A1133$$p1133 -$$tPhys. Rev.$$v140$$y1965
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.77.3865
000044062 999C5 $$1D. J. Singh$$2Crossref$$9-- missing cx lookup --$$a10.1007/978-1-4757-2312-0$$y1994
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.19.1706
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.13.5188
000044062 999C5 $$1F. D. Murnaghan$$2Crossref$$oF. D. Murnaghan 1944$$y1944
000044062 999C5 $$1C. Kittel$$2Crossref$$oC. Kittel Introduction to Solid State Physics 1996$$tIntroduction to Solid State Physics$$y1996
000044062 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.2532
000044062 999C5 $$1L. Pauling$$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1749514$$y1960