Renormalization of spin excitations and Kondo effect in open shell nanographenes
| Title: | Renormalization of spin excitations and Kondo effect in open shell nanographenes |
|---|---|
| Authors: | Jacob, David, Ortiz, Ricardo, Fernández-Rossier, Joaquín |
| Source: | Phys. Rev. B 104, 075404 (2021) |
| Publication Year: | 2021 |
| Collection: | Condensed Matter |
| Subject Terms: | Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Strongly Correlated Electrons |
| More Details: | 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, the extended triangulene with rocket shape, both with an $S=1$ ground state, and a triangulene dimer with $S=0$ on account of intermolecular exchange. We focus on the consequences of hybridization of the nanographene zero-modes with a conducting substrate on the $dI/dV$ lineshapes associated with spin excitations. The partially filled nanographene zero-modes coupled to the conduction electrons in the substrate constitute multi-orbital Anderson impurity models that we solve in the one-crossing approximation which treats the coupling to the substrate to infinite order. We find that the coupling to the substrate leads to (i) renormalization of the spin flip excitation energies of the bare molecule, (ii) broadening of the spectral features and (iii) the emergence of zero bias Kondo peaks for the $S=1$ ground states. The calculated substrate induced shift of the spin excitation energies is found to be significantly larger than their broadening, which implies that this effect has to be considered when comparing experimental results and theory. Comment: 9 pages, 4 figures; replaced with revised version, accepted in Phys. Rev. B |
| Document Type: | Working Paper |
| DOI: | 10.1103/PhysRevB.104.075404 |
| Access URL: | http://arxiv.org/abs/2104.02503 |
| Accession Number: | edsarx.2104.02503 |
| Database: | arXiv |
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| Items | – Name: Title Label: Title Group: Ti Data: Renormalization of spin excitations and Kondo effect in open shell nanographenes – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Jacob%2C+David%22">Jacob, David</searchLink><br /><searchLink fieldCode="AR" term="%22Ortiz%2C+Ricardo%22">Ortiz, Ricardo</searchLink><br /><searchLink fieldCode="AR" term="%22Fernández-Rossier%2C+Joaquín%22">Fernández-Rossier, Joaquín</searchLink> – Name: TitleSource Label: Source Group: Src Data: Phys. Rev. B 104, 075404 (2021) – Name: DatePubCY Label: Publication Year Group: Date Data: 2021 – Name: Subset Label: Collection Group: HoldingsInfo Data: Condensed Matter – Name: Subject Label: Subject Terms Group: Su Data: <searchLink fieldCode="DE" term="%22Condensed+Matter+-+Mesoscale+and+Nanoscale+Physics%22">Condensed Matter - Mesoscale and Nanoscale Physics</searchLink><br /><searchLink fieldCode="DE" term="%22Condensed+Matter+-+Strongly+Correlated+Electrons%22">Condensed Matter - Strongly Correlated Electrons</searchLink> – Name: Abstract Label: Description Group: Ab Data: 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, the extended triangulene with rocket shape, both with an $S=1$ ground state, and a triangulene dimer with $S=0$ on account of intermolecular exchange. We focus on the consequences of hybridization of the nanographene zero-modes with a conducting substrate on the $dI/dV$ lineshapes associated with spin excitations. The partially filled nanographene zero-modes coupled to the conduction electrons in the substrate constitute multi-orbital Anderson impurity models that we solve in the one-crossing approximation which treats the coupling to the substrate to infinite order. We find that the coupling to the substrate leads to (i) renormalization of the spin flip excitation energies of the bare molecule, (ii) broadening of the spectral features and (iii) the emergence of zero bias Kondo peaks for the $S=1$ ground states. The calculated substrate induced shift of the spin excitation energies is found to be significantly larger than their broadening, which implies that this effect has to be considered when comparing experimental results and theory.<br />Comment: 9 pages, 4 figures; replaced with revised version, accepted in Phys. Rev. B – Name: TypeDocument Label: Document Type Group: TypDoc Data: Working Paper – Name: DOI Label: DOI Group: ID Data: 10.1103/PhysRevB.104.075404 – Name: URL Label: Access URL Group: URL Data: <link linkTarget="URL" linkTerm="http://arxiv.org/abs/2104.02503" linkWindow="_blank">http://arxiv.org/abs/2104.02503</link> – Name: AN Label: Accession Number Group: ID Data: edsarx.2104.02503 |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1103/PhysRevB.104.075404 Subjects: – SubjectFull: Condensed Matter - Mesoscale and Nanoscale Physics Type: general – SubjectFull: Condensed Matter - Strongly Correlated Electrons Type: general Titles: – TitleFull: Renormalization of spin excitations and Kondo effect in open shell nanographenes Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Jacob, David – PersonEntity: Name: NameFull: Ortiz, Ricardo – PersonEntity: Name: NameFull: Fernández-Rossier, Joaquín IsPartOfRelationships: – BibEntity: Dates: – D: 06 M: 04 Type: published Y: 2021 |
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