Dynamic bonding of metallic nanocontacts: Insights from experiments and atomistic simulations

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dc.contributor.author Fernández, M. A.
dc.contributor.author Sabater, C.
dc.contributor.author Dednam, W.
dc.contributor.author Palacios, J. J.
dc.contributor.author Calvo, M. R.
dc.contributor.author Untiedt, C.
dc.contributor.author Caturla, M. J.
dc.contributor.other UAM. Departamento de Física de la Materia Condensada es_ES
dc.date.accessioned 2017-03-22T15:39:29Z
dc.date.available 2017-03-22T15:39:29Z
dc.date.issued 2016-02-26
dc.identifier.citation Physical Review B - Condensed Matter and Materials Physics 93.8 (2016): 085437 en_US
dc.identifier.issn 2469-9950 (print) es_ES
dc.identifier.issn 2469-9969 (online) es_ES
dc.identifier.uri http://hdl.handle.net/10486/677687
dc.description.abstract The conductance across an atomically narrow metallic contact can be measured by using scanning tunneling microscopy. In certain situations, a jump in the conductance is observed right at the point of contact between the tip and the surface, which is known as "jump to contact" (JC). Such behavior provides a way to explore, at a fundamental level, how bonding between metallic atoms occurs dynamically. This phenomenon depends not only on the type of metal but also on the geometry of the two electrodes. For example, while some authors always find JC when approaching two atomically sharp tips of Cu, others find that a smooth transition occurs when approaching a Cu tip to an adatom on a flat surface of Cu. In an attempt to show that all these results are consistent, we make use of atomistic simulations; in particular, classical molecular dynamics together with density functional theory transport calculations to explore a number of possible scenarios. Simulations are performed for two different materials: Cu and Au in a [100] crystal orientation and at a temperature of 4.2 K. These simulations allow us to study the contribution of short- and long-range interactions to the process of bonding between metallic atoms, as well as to compare directly with experimental measurements of conductance, giving a plausible explanation for the different experimental observations. Moreover, we show a correlation between the cohesive energy of the metal, its Young's modulus, and the frequency of occurrence of a jump to contact en_US
dc.description.sponsorship W. Dednam thanks Dr. A. E. Botha for helpful discussions and acknowledges support from the National Research Foundation of South Africa through the Scarce Skills Masters scholarship funding programme (Grant Unique Number 92138). This work is supported by the Generalitat Valenciana through Grant Reference PROMETEO2012/011 and MINECO under Grant No. FIS2013-47328, by European Union structural funds and the Comunidad de Madrid Programs S2013/MIT-3007 and P2013/MIT-2850. This work is also part of the research programme of the Foundation for Fundamental Research on Matter (FOM), which is financially supported by the Netherlands Organisation for Scientific Research (NWO) en_US
dc.format.extent 10 pag. es_ES
dc.format.mimetype application/pdf en
dc.language.iso eng en
dc.publisher American Physical Society en_US
dc.relation.ispartof Physical Review B - Condensed Matter and Materials Physics en_US
dc.rights © 2016 American Physical Society en_US
dc.subject.other Metallic nanocontacts en_US
dc.subject.other Atomistic simulations en_US
dc.title Dynamic bonding of metallic nanocontacts: Insights from experiments and atomistic simulations en_US
dc.type article en
dc.subject.eciencia Física es_ES
dc.relation.publisherversion http://dx.doi.org/10.1103/PhysRevB.93.085437 es_ES
dc.identifier.doi 10.1103/PhysRevB.93.085437 es_ES
dc.identifier.publicationfirstpage 085437 es_ES
dc.identifier.publicationissue 8 es_ES
dc.identifier.publicationlastpage 085437 es_ES
dc.identifier.publicationvolume 93 es_ES
dc.relation.projectID Gobierno de España. FIS2013-47328 es_ES
dc.relation.projectID Comunidad de Madrid. S2013/MIT-3007/MAD2D es_ES
dc.relation.projectID Comunidad de Madrid. S2013/MIT-2850/NANOFRONTMAG-CM es_ES
dc.type.version info:eu-repo/semantics/publishedVersion en
dc.rights.accessRights openAccess en


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