Renormalization of spin excitations and Kondo effect in open-shell nanographenes

نویسندگان

چکیده

We study spin excitations and Kondo effect in open-shell nanographenes, motivated by recent scanning tunneling inelastic spectroscopy experiments. Specifically, we consider three systems, the triangulene, extended triangulene with rocket shape, both an $S=1$ ground state, a dimer $S=0$ on account of intermolecular exchange. focus consequences hybridization nanographene zero-modes conducting substrate $dI/dV$ lineshapes associated excitations. The partially filled coupled to conduction electrons constitute multi-orbital Anderson impurity models that solve one-crossing approximation which treats coupling infinite order. find leads (i) renormalization flip excitation energies bare molecule, (ii) broadening spectral features (iii) emergence zero bias peaks for states. calculated induced shift is found be significantly larger than their broadening, implies this has considered when comparing experimental results theory.

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ژورنال

عنوان ژورنال: Physical review

سال: 2021

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.104.075404