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Modeling the effects of molecule distortion on the Kondo resonance in the conductance of CoPc/Au(111) and TBrPP‐Co/Cu(111)
Author(s) -
AguiarHualde J. M.,
Chiappe G.,
Louis E.,
Anda E. V.,
Simonin J.
Publication year - 2009
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200881714
Subject(s) - kondo effect , atom (system on chip) , molecule , atomic orbital , scanning tunneling microscope , conductance , chemistry , resonance (particle physics) , condensed matter physics , metal , molecular physics , physics , atomic physics , quantum mechanics , electron , impurity , organic chemistry , computer science , embedded system
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 temperature 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.