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dc.contributor.authorImam, Mighfar-
dc.contributor.authorMarathe, Madhura-
dc.contributor.authorNarasimhan, Shobhana-
dc.date.accessioned2012-03-05T10:37:03Z-
dc.date.available2012-03-05T10:37:03Z-
dc.date.issued2008-11-
dc.identifier0253-4134en_US
dc.identifier.citationJournal of Chemical Sciences 120(6), 621-626 (2008)en_US
dc.identifier.urihttp://hdl.handle.net/10572/549-
dc.descriptionOpen Accessen_US
dc.description.abstractWe have performed ab initio density functional theory calculations to investigate the formation energy and the effects of low dimensionality and reduced coordination on the magnetic properties of pseudomorphically grown monolayers of Co-Ag surface alloys on a Rh(111) substrate. We find that if such an alloy could form, its magnetic moment would be considerably enhanced relative to that of bulk Co. However, we also find that its formation is energetically disfavoured against phase-segregated forms; this can be mainly attributed to the high 'chemical' cost of forming Ag-Co bonds. Trends in the variation of magnetic moment with alloy composition are largely consistent with the Stoner argumenten_US
dc.description.sponsorshipJawaharlal Nehru Ctr Adv Sci Res, Theoret Sci Unit, Jakkur Campus, Bangalore 560064, Karnataka Indiaen_US
dc.description.urihttp://dx.doi.org/10.1007/s12039-008-0094-0en_US
dc.language.isoenen_US
dc.publisherIndian Academy of Sciencesen_US
dc.rights© 2008 Indian Academy of Sciencesen_US
dc.subjectSurface alloysen_US
dc.subjectreduced coordinationen_US
dc.subjectmagnetismen_US
dc.subjectstrainen_US
dc.subjectGrowthen_US
dc.subjectAlloysen_US
dc.subjectNI(110)en_US
dc.subjectMetalsen_US
dc.subjectAUen_US
dc.titleCompetition between elastic and chemical effects in the intermixing of Co and Ag on Rh(111)en_US
dc.typeArticleen_US
Appears in Collections:Research Articles (Shobhana Narasimhan)

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