TY - JOUR
T1 - Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules
AU - Dias Da Silva, Luis G.G.V.
AU - Tiago, Murilo L.
AU - Ulloa, Sergio E.
AU - Reboredo, Fernando A.
AU - Dagotto, Elbio
PY - 2009/10/21
Y1 - 2009/10/21
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=72449132992&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.80.155443
DO - 10.1103/PhysRevB.80.155443
M3 - Article
AN - SCOPUS:72449132992
SN - 1098-0121
VL - 80
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 15
M1 - 155443
ER -