Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)

Recent scanning tunneling microscope (STM) experimental studies on transport through CoPc and TBrPP-Co molecules adsorbed on metallic surfaces have reported several interesting results: (i) a high Kondo temperature as compared to those of adsorbed undressed magnetic atoms, (ii) the Kondo resonance s...

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Detalles Bibliográficos
Publicado: 2009
Materias:
[Co/Cu]
CO molecule
Complex systems
Conformational change
Experimental studies
Inner structure
Kondo resonances
Kondo temperatures
Magnetic atoms
Metallic surface
Orbitals
Physical interpretation
Scanning tunneling microscopes
Simple model
Theoretical framework
Atoms
Metallic compounds
Molecules
Resonance
Surface measurement
Conformations
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_18626300_v206_n10_p2217_AguiarHualde
http://hdl.handle.net/20.500.12110/paper_18626300_v206_n10_p2217_AguiarHualde
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_18626300_v206_n10_p2217_AguiarHualde
record_format dspace
spelling paper:paper_18626300_v206_n10_p2217_AguiarHualde2023-06-08T16:29:33Z Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111) [Co/Cu] CO molecule Complex systems Conformational change Experimental studies Inner structure Kondo resonances Kondo temperatures Magnetic atoms Metallic surface Orbitals Physical interpretation Scanning tunneling microscopes Simple model Theoretical framework Atoms Metallic compounds Molecules Resonance Surface measurement Conformations Recent scanning tunneling microscope (STM) experimental studies on transport through CoPc and TBrPP-Co molecules adsorbed on metallic surfaces have reported several interesting results: (i) a high Kondo temperature as compared to those of adsorbed undressed magnetic atoms, (ii) the Kondo resonance shows up either as a Kondo peak (CoPc) or as a Fano dip (TBrPP-Co), (iii) the Kondo tempeature depends strongly on the molecule conformation and can be manipulated experimentally. Aiming to propose a theoretical framework that may serve to analyze these observations, we first discuss the case of an isolated magnetic atom adsorbed on a metallic surface. Much of the work on this simple case turns out to be of great help in the analysis of the more complex systems. Then, a simple model is proposed that, capturing the main features of the inner structure of the molecule (four lobe orbitals plus a strongly correlated orbital), offers a physical interpretation for most of the observations on those two moecules. In addition, it allows predicting the behavior of the system upon other symmetry or conformational changes, or when the STM tip is moved away from the Co atom. © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. 2009 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_18626300_v206_n10_p2217_AguiarHualde http://hdl.handle.net/20.500.12110/paper_18626300_v206_n10_p2217_AguiarHualde
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic [Co/Cu]
CO molecule
Complex systems
Conformational change
Experimental studies
Inner structure
Kondo resonances
Kondo temperatures
Magnetic atoms
Metallic surface
Orbitals
Physical interpretation
Scanning tunneling microscopes
Simple model
Theoretical framework
Atoms
Metallic compounds
Molecules
Resonance
Surface measurement
Conformations
spellingShingle [Co/Cu]
CO molecule
Complex systems
Conformational change
Experimental studies
Inner structure
Kondo resonances
Kondo temperatures
Magnetic atoms
Metallic surface
Orbitals
Physical interpretation
Scanning tunneling microscopes
Simple model
Theoretical framework
Atoms
Metallic compounds
Molecules
Resonance
Surface measurement
Conformations
Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
topic_facet [Co/Cu]
CO molecule
Complex systems
Conformational change
Experimental studies
Inner structure
Kondo resonances
Kondo temperatures
Magnetic atoms
Metallic surface
Orbitals
Physical interpretation
Scanning tunneling microscopes
Simple model
Theoretical framework
Atoms
Metallic compounds
Molecules
Resonance
Surface measurement
Conformations
description Recent scanning tunneling microscope (STM) experimental studies on transport through CoPc and TBrPP-Co molecules adsorbed on metallic surfaces have reported several interesting results: (i) a high Kondo temperature as compared to those of adsorbed undressed magnetic atoms, (ii) the Kondo resonance shows up either as a Kondo peak (CoPc) or as a Fano dip (TBrPP-Co), (iii) the Kondo tempeature depends strongly on the molecule conformation and can be manipulated experimentally. Aiming to propose a theoretical framework that may serve to analyze these observations, we first discuss the case of an isolated magnetic atom adsorbed on a metallic surface. Much of the work on this simple case turns out to be of great help in the analysis of the more complex systems. Then, a simple model is proposed that, capturing the main features of the inner structure of the molecule (four lobe orbitals plus a strongly correlated orbital), offers a physical interpretation for most of the observations on those two moecules. In addition, it allows predicting the behavior of the system upon other symmetry or conformational changes, or when the STM tip is moved away from the Co atom. © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
title Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
title_short Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
title_full Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
title_fullStr Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
title_full_unstemmed Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP-Co/Cu(111)
title_sort modeling the effects of molecule distortion on the kondo resonance in the conductance of copc/au(111) and tbrpp-co/cu(111)
publishDate 2009
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_18626300_v206_n10_p2217_AguiarHualde
http://hdl.handle.net/20.500.12110/paper_18626300_v206_n10_p2217_AguiarHualde
_version_ 1768544840761475072

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