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,...

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Autores principales: Barral, María Andrea, Di Napoli, Solange, Camjayi, Alberto, Manuel, Luis Oscar
Publicado: 2017
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:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n9_p_Barral
http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00219606_v146_n9_p_Barral
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spelling paper:paper_00219606_v146_n9_p_Barral2023-06-08T14:44:29Z Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen Barral, María Andrea Di Napoli, Solange Camjayi, Alberto Manuel, Luis Oscar 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. 2017 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n9_p_Barral 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, María Andrea
Di Napoli, Solange
Camjayi, Alberto
Manuel, Luis Oscar
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).
author Barral, María Andrea
Di Napoli, Solange
Camjayi, Alberto
Manuel, Luis Oscar
author_facet Barral, María Andrea
Di Napoli, Solange
Camjayi, Alberto
Manuel, Luis Oscar
author_sort Barral, María Andrea
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
publishDate 2017
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v146_n9_p_Barral
http://hdl.handle.net/20.500.12110/paper_00219606_v146_n9_p_Barral
work_keys_str_mv AT barralmariaandrea kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT dinapolisolange kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT camjayialberto kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
AT manuelluisoscar kondobehaviorandconductancethrough3dimpuritiesingoldchainsdopedwithoxygen
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