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dc.contributor.author
García, Evelina Andrea
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Garcia Iglesias, Agustin
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Gómez Carrillo, Sandra Carolina
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Romero, Marcelo Ariel
dc.date.available
2019-10-15T13:52:22Z
dc.date.issued
2018-09
dc.identifier.citation
García, Evelina Andrea; Garcia Iglesias, Agustin; Gómez Carrillo, Sandra Carolina; Romero, Marcelo Ariel; S-type single alkali-adatom on graphene; Elsevier Science; Applied Surface Science; 452; 9-2018; 507-513
dc.identifier.issn
0169-4332
dc.identifier.uri
http://hdl.handle.net/11336/85872
dc.description.abstract
We present a theoretical study of the localized aspects of the alkali-metal atoms (Li, Na, K) interacting with graphene. We use an ab-initio calculation of the Hamiltonian parameters where the chemical properties of the interacting atoms (alkali and C), and the extended features of the electronic band structure of the solid are considered. Adatoms with a s-type valence orbital where the electron repulsion (U) in the atom assumes a finite value are considered. Three possible configuration states are analyzed: zero, one (spin up or down), and two electrons in the valence state. We describe the surface-atom interaction by projecting the Anderson Hamiltonian on the subspace of these atomic configurations, and introduced the Green's functions required to calculate the magnitudes of interest. Physical quantities of interest such as hybridization function, the adatom spectral density and transferred charge are obtained. We find that the interaction of alkali-metal atoms with graphene involves several atoms of the solid due to the extension of the s-type alkali atomic state and C atomic states. Charge is mostly transferred from the adatom towards the graphene sheet.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ADATOM COVERAGE
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ADSORPTION
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ALKALI ATOM
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ELECTRONIC CORRELATION
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GRAPHENE
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QUANTUM INTERFERENCES
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
S-type single alkali-adatom on graphene
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-10-10T14:58:19Z
dc.journal.volume
452
dc.journal.pagination
507-513
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: García, Evelina Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
dc.description.fil
Fil: Garcia Iglesias, Agustin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
dc.description.fil
Fil: Gómez Carrillo, Sandra Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
dc.description.fil
Fil: Romero, Marcelo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
dc.journal.title
Applied Surface Science
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169433218312807?via%3Dihub
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.apsusc.2018.05.011
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