Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules

Details Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules

2009-05-17

arxiv.org/abs/0905.2777v2

Phys. Rev. B 80, 155443 (2009)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

To appear in Phys. Rev. B; Revised version (8 pages, 5 figs)

Scientific paper

10.1103/PhysRevB.80.155443

We use a combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning tunneling spectroscopy measurements. We discuss the importance of many-body effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.

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