Effects of next-nearest-neighbor interactions on the orientation dependence of step stiffness: Reconciling theory with experiment for Cu(001)

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dc.contributorVirginia Techen
dc.contributor.authorStasevich, T. J.en
dc.contributor.authorEinstein, T. L.en
dc.contributor.authorZia, Royce K. P.en
dc.contributor.authorGiesen, M.en
dc.contributor.authorIbach, H.en
dc.contributor.authorSzalma, F.en
dc.contributor.departmentPhysicsen
dc.date.accessed2014-04-23en
dc.date.accessioned2014-05-07T15:36:56Zen
dc.date.available2014-05-07T15:36:56Zen
dc.date.issued2004-12en
dc.description.abstractWithin the solid-on-solid (SOS) approximation, we carry out a calculation of the orientational dependence of the step stiffness on a square lattice with nearest- and next-nearest-neighbor interactions. At low temperature our result reduces to a simple, transparent expression. The effect of the strongest trio (three-site, nonpairwise) interaction can easily be incorporated by modifying the interpretation of the two pairwise energies. The work is motivated by a calculation based on nearest neighbors that underestimates the stiffness by a factor of 4 in directions away from close-packed directions, and a subsequent estimate of the stiffness in the two high-symmetry directions alone that suggested that inclusion of next-nearest-neighbor attractions could fully explain the discrepancy. As in these earlier papers, the discussion focuses on Cu(001).en
dc.description.sponsorshipNSF-MRSEC, Grant No. DMR 00-80008, DMR 00-88451, 04-14122en
dc.description.sponsorshipHumboldt Foundationen
dc.identifier.citationStasevich, T. J.; Einstein, T. L.; Zia, R. K. P.; Giesen, M.; Ibach, H.; Szalma, F., "Effects of next-nearest-neighbor interactions on the orientation dependence of step stiffness: Reconciling theory with experiment for Cu(001)," Phys. Rev. B 70, 245404 DOI: http://dx.doi.org/10.1103/PhysRevB.70.245404en
dc.identifier.doihttps://doi.org/10.1103/PhysRevB.70.245404en
dc.identifier.issn1098-0121en
dc.identifier.urihttp://hdl.handle.net/10919/47836en
dc.identifier.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.70.245404en
dc.language.isoen_USen
dc.publisherAmerican Physical Societyen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectinitio molecular-dynamicsen
dc.subjecttotal-energy calculationsen
dc.subjectkink-formationen
dc.subjectenergiesen
dc.subjectembedded-atom-methoden
dc.subjectwave basis-seten
dc.subjectmetal-surfacesen
dc.subjectequilibrium shapesen
dc.subjectconsequencesen
dc.subjecttransitionen
dc.subjectTemperatureen
dc.subjectphysics, condensed matteren
dc.titleEffects of next-nearest-neighbor interactions on the orientation dependence of step stiffness: Reconciling theory with experiment for Cu(001)en
dc.title.serialPhysical Review Ben
dc.typeArticle - Refereeden

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