Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen

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,...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Barral, M.A., Di Napoli, S., Blesio, G., Roura-Bas, P., Camjayi, A., Manuel, L.O., Aligia, A.A.
Formato: JOUR
Materias:
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
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_00219606_v146_n9_p_Barral
record_format dspace
spelling todo:paper_00219606_v146_n9_p_Barral2023-10-03T14:24:37Z Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen Barral, M.A. Di Napoli, S. Blesio, G. Roura-Bas, P. Camjayi, A. Manuel, L.O. Aligia, A.A. 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 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). Fil:Barral, M.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Di Napoli, S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Camjayi, A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Manuel, L.O. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic 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
spellingShingle 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
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
topic_facet 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
description 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).
format JOUR
author Barral, M.A.
Di Napoli, S.
Blesio, G.
Roura-Bas, P.
Camjayi, A.
Manuel, L.O.
Aligia, A.A.
author_facet Barral, M.A.
Di Napoli, S.
Blesio, G.
Roura-Bas, P.
Camjayi, A.
Manuel, L.O.
Aligia, A.A.
author_sort Barral, M.A.
title Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_short Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_full Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_fullStr Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_full_unstemmed Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_sort kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
url http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
work_keys_str_mv AT barralma kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT dinapolis kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT blesiog kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT rourabasp kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT camjayia kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT manuello kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT aligiaaa kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
_version_ 1782026251893997568

Ejemplares similares