Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

S. Stepanow; P. S. Miedema; A. Mugarza; G. Ceballos; P. Moras; J. C. Cezar; C. Carbone; F. M.F. De Groot; P. Gambardella

doi:10.1103/PhysRevB.83.220401

Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

S. Stepanow, P. S. Miedema, A. Mugarza, G. Ceballos, P. Moras, J. C. Cezar, C. Carbone, F. M.F. De Groot, P. Gambardella

Department of Physics

Research output: Contribution to journal › Article › Research › peer-review

115 Citations (Scopus)

Abstract

We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-ray magnetic circular dichroism and ligand field multiplet calculations, we demonstrate that the 3d electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, dnE+dn +1, where E represents a substrate electron antiferromagnetically coupled to the central metal ion and dn the many-body ionic orbital configuration of the unperturbed molecule. These results differ from previous models of hybrid metal-organic systems and provide a consistent description of their magnetic moments and Kondo physics in terms of spin and orbital multiplicity. © 2011 American Physical Society.

Original language	English
Article number	220401
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	83
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.83.220401
Publication status	Published - 9 Jun 2011

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@article{96fd164841ea42ee955d9ec8852c04f7,

title = "Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals",

abstract = "We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-ray magnetic circular dichroism and ligand field multiplet calculations, we demonstrate that the 3d electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, dnE+dn +1, where E represents a substrate electron antiferromagnetically coupled to the central metal ion and dn the many-body ionic orbital configuration of the unperturbed molecule. These results differ from previous models of hybrid metal-organic systems and provide a consistent description of their magnetic moments and Kondo physics in terms of spin and orbital multiplicity. {\textcopyright} 2011 American Physical Society.",

author = "S. Stepanow and Miedema, {P. S.} and A. Mugarza and G. Ceballos and P. Moras and Cezar, {J. C.} and C. Carbone and {De Groot}, {F. M.F.} and P. Gambardella",

year = "2011",

month = jun,

day = "9",

doi = "10.1103/PhysRevB.83.220401",

language = "English",

volume = "83",

number = "22",

}

Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals. / Stepanow, S.; Miedema, P. S.; Mugarza, A.; Ceballos, G.; Moras, P.; Cezar, J. C.; Carbone, C.; De Groot, F. M.F.; Gambardella, P.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 83, No. 22, 220401, 09.06.2011.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

AU - Stepanow, S.

AU - Miedema, P. S.

AU - Mugarza, A.

AU - Ceballos, G.

AU - Moras, P.

AU - Cezar, J. C.

AU - Carbone, C.

AU - De Groot, F. M.F.

AU - Gambardella, P.

PY - 2011/6/9

Y1 - 2011/6/9

N2 - We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-ray magnetic circular dichroism and ligand field multiplet calculations, we demonstrate that the 3d electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, dnE+dn +1, where E represents a substrate electron antiferromagnetically coupled to the central metal ion and dn the many-body ionic orbital configuration of the unperturbed molecule. These results differ from previous models of hybrid metal-organic systems and provide a consistent description of their magnetic moments and Kondo physics in terms of spin and orbital multiplicity. © 2011 American Physical Society.

AB - We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-ray magnetic circular dichroism and ligand field multiplet calculations, we demonstrate that the 3d electronic ground state of monolayer metal-phthalocyanine (CoPc, FePc) on Au(111) is given by the coherent superposition of two charge states, dnE+dn +1, where E represents a substrate electron antiferromagnetically coupled to the central metal ion and dn the many-body ionic orbital configuration of the unperturbed molecule. These results differ from previous models of hybrid metal-organic systems and provide a consistent description of their magnetic moments and Kondo physics in terms of spin and orbital multiplicity. © 2011 American Physical Society.

U2 - 10.1103/PhysRevB.83.220401

DO - 10.1103/PhysRevB.83.220401

M3 - Article

VL - 83

IS - 22

M1 - 220401

ER -