Artículo

Barral, M.A.; Di Napoli, S.; Blesio, G.; Roura-Bas, P.; Camjayi, A.; Manuel, L.O.; Aligia, A.A."Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen" (2017) Journal of Chemical Physics. 146(9)
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Abstract:

Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the 3d series. The effect of O doping is to bring extended Au 5dxz and 5dyz states to the Fermi level, which together with the Au states of zero angular momentum projection leads to three possible channels for the screening of the magnetism of the impurity. For most 3d impurities the expected physics is similar to that of the underscreened Kondo model, with singular Fermi liquid behavior. For Fe and Co under a tetragonal crystal field introduced by leads, the system might display a non-Fermi liquid behavior. Ni and Cu impurities are described by a S = 1 two channel Kondo model and an SU(4) impurity Anderson model in the intermediate valence regime, respectively. In both cases, the system is a Fermi liquid, but the conductance shows some observable differences with the ordinary SU(2) Anderson model. © 2017 Author(s).

Registro:

Documento: Artículo
Título:Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
Autor:Barral, M.A.; Di Napoli, S.; Blesio, G.; Roura-Bas, P.; Camjayi, A.; Manuel, L.O.; Aligia, A.A.
Filiación:Dpto. de Física de la Materia Condensada, GIyA-CNEA, Avenida General Paz 1499, San Martín, Provincia de Buenos Aires 1650, Argentina
CONICET, CABA, 1033, Argentina
Instituto de Física Rosario, Facultad de Ciencias Exactas, Ingeniería y Agrimensura, Universidad Nacional de Rosario, CONICET, Bv. 27 de Febrero 210 bis, Rosario, 2000, Argentina
Departamento de Física, FCEyN, Universidad de Buenos Aires, IFIBA, Ciudad Universitaria, CONICET, Pabellón I, CABA, 1428, Argentina
Centro Atómico Bariloche, Instituto Balseiro, Comisión Nacional de Energía Atómica, CONICET, Bariloche, 8400, Argentina
Palabras clave:Calculations; Chains; Crystal atomic structure; Electronic structure; Fermi liquids; Fermions; Gold; Liquids; Magnetic anisotropy; Oxygen; Transition metals; Ab initio calculations; Fermi liquid behavior; Intermediate valence; Non-Fermi-liquid behavior; Tetragonal crystals; Transition metal atoms; Two-channel Kondo model; Zero angular momentum; Crystal impurities
Año:2017
Volumen:146
Número:9
DOI: http://dx.doi.org/10.1063/1.4973982
Handle:http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
Título revista:Journal of Chemical Physics
Título revista abreviado:J Chem Phys
ISSN:00219606
CODEN:JCPSA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n9_p_Barral

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Citas:

---------- APA ----------
Barral, M.A., Di Napoli, S., Blesio, G., Roura-Bas, P., Camjayi, A., Manuel, L.O. & Aligia, A.A. (2017) . Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen. Journal of Chemical Physics, 146(9).
http://dx.doi.org/10.1063/1.4973982
---------- CHICAGO ----------
Barral, M.A., Di Napoli, S., Blesio, G., Roura-Bas, P., Camjayi, A., Manuel, L.O., et al. "Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen" . Journal of Chemical Physics 146, no. 9 (2017).
http://dx.doi.org/10.1063/1.4973982
---------- MLA ----------
Barral, M.A., Di Napoli, S., Blesio, G., Roura-Bas, P., Camjayi, A., Manuel, L.O., et al. "Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen" . Journal of Chemical Physics, vol. 146, no. 9, 2017.
http://dx.doi.org/10.1063/1.4973982
---------- VANCOUVER ----------
Barral, M.A., Di Napoli, S., Blesio, G., Roura-Bas, P., Camjayi, A., Manuel, L.O., et al. Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen. J Chem Phys. 2017;146(9).
http://dx.doi.org/10.1063/1.4973982