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dc.contributor.author
Urdaniz, Maria Corina
dc.contributor.author
Barral, María Andrea
dc.contributor.author
Llois, Ana Maria
dc.contributor.author
Saúl, A.
dc.date.available
2018-02-15T18:39:21Z
dc.date.issued
2014-11
dc.identifier.citation
Urdaniz, Maria Corina; Barral, María Andrea; Llois, Ana Maria; Saúl, A.; Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 90; 19; 11-2014; 1954231-1954237
dc.identifier.issn
1098-0121
dc.identifier.uri
http://hdl.handle.net/11336/36561
dc.description.abstract
In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM-X(X=N,O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Physical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Magnetic Interactions
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3d Atomic Chains
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Covalent Substrate
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Superexchange Model
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Astronomía
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-02-14T19:28:19Z
dc.journal.volume
90
dc.journal.number
19
dc.journal.pagination
1954231-1954237
dc.journal.pais
Estados Unidos
dc.journal.ciudad
New York
dc.description.fil
Fil: Urdaniz, Maria Corina. Comisión Nacional de Energía Atómica; Argentina
dc.description.fil
Fil: Barral, María Andrea. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
dc.description.fil
Fil: Llois, Ana Maria. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
dc.description.fil
Fil: Saúl, A.. Universite d’Aix Marseille; Francia. Massachusetts Institute of Technology; Estados Unidos. MultiScale Material Science for Energy and Environment. Cambridge; Estados Unidos
dc.journal.title
Physical Review B: Condensed Matter and Materials Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.90.195423
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.195423


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