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

^*Corresponding author for this work

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

Abstract

We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-raymagnetic 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, d(n)E + d(n+1), where E represents a substrate electron antiferromagnetically coupled to the central metal ion and d(n) 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.

Original language	English
Article number	220401
Pages (from-to)	220401/1-220401/4
Number of pages	4
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

Funding

Work was supported by the European Research Council (StG 203239 NOMAD), Ministerio de Ciencia e Innovacion (MAT2010-15659), Agencia de Gestio d'Ajuts Universitaris i de Recerca (2009 SGR 695), and MIUR (PRIN 20087NX9YT). We acknowledge the ESRF for provision of beam time.

Keywords

ELECTRONIC-STRUCTURE
GROUND-STATE
SPIN
CU
MOLECULES
NI
CO

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Stepanow, S., Miedema, P. S., Mugarza, A., Ceballos, G., Moras, P., Cezar, J. C., Carbone, C., de Groot, F. M. F., & Gambardella, P. (2011). Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals. Physical review. B, Condensed matter and materials physics, 83(22), 220401/1-220401/4. Article 220401. https://doi.org/10.1103/PhysRevB.83.220401

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abstract = "We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-raymagnetic 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, d(n)E + d(n+1), where E represents a substrate electron antiferromagnetically coupled to the central metal ion and d(n) 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.",

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Stepanow, S, Miedema, PS, Mugarza, A, Ceballos, G, Moras, P, Cezar, JC, Carbone, C, de Groot, FMF & Gambardella, P 2011, 'Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals', Physical review. B, Condensed matter and materials physics, vol. 83, no. 22, 220401, pp. 220401/1-220401/4. https://doi.org/10.1103/PhysRevB.83.220401

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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-raymagnetic 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, d(n)E + d(n+1), where E represents a substrate electron antiferromagnetically coupled to the central metal ion and d(n) 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.

AB - We investigate the hierarchy of local correlation and hybridization effects in metal-organic molecules adsorbed on metals. Using x-raymagnetic 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, d(n)E + d(n+1), where E represents a substrate electron antiferromagnetically coupled to the central metal ion and d(n) 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.

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KW - MOLECULES

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DO - 10.1103/PhysRevB.83.220401

M3 - Article

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SP - 220401/1-220401/4

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JF - Physical review. B, Condensed matter and materials physics

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ER -

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

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Keywords

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