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| Hauptseite > Publikationsdatenbank > Transfering spin into an extended π orbital of a large molecule > print |
| Hauptseite > Publikationsdatenbank > Transfering spin into an extended π orbital of a large molecule > print |
| 001 | 189751 | ||
| 005 | 20230426083119.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.91.144415 |2 doi |
| 024 | 7 | _ | |a 0163-1829 |2 ISSN |
| 024 | 7 | _ | |a 0556-2805 |2 ISSN |
| 024 | 7 | _ | |a 1095-3795 |2 ISSN |
| 024 | 7 | _ | |a 1098-0121 |2 ISSN |
| 024 | 7 | _ | |a 1550-235X |2 ISSN |
| 024 | 7 | _ | |a 2128/8535 |2 Handle |
| 024 | 7 | _ | |a WOS:000353123800002 |2 WOS |
| 037 | _ | _ | |a FZJ-2015-02781 |
| 082 | _ | _ | |a 530 |
| 100 | 1 | _ | |a Esat, Taner |0 P:(DE-Juel1)156533 |b 0 |e Corresponding Author |u fzj |
| 245 | _ | _ | |a Transfering spin into an extended π orbital of a large molecule |
| 260 | _ | _ | |a College Park, Md. |c 2015 |b APS |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1502086278_15125 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
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| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a By means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS), we have investigated the adsorption of single Au atoms on a PTCDA monolayer physisorbed on the Au(111) surface. A chemical reaction between the Au atom and the PTCDA molecule leads to the formation of a radical that has an unpaired electron in its highest occupied orbital. This orbital is a π orbital that extends over the whole Au-PTCDA complex. Because of the large Coulomb repulsion in this orbital, the unpaired electron generates a local moment when the molecule is adsorbed on the Au(111) surface. We demonstrate the formation of the radical and the existence of the local moment after adsorption by observing a zero-bias differential conductance peak that originates from the Kondo effect. By temperature dependent measurements of the zero-bias differential conductance, we determine the Kondo temperature to be TK=(38±8)K. For the theoretical description of the properties of the Au-PTCDA complex we use a hierarchy of methods, ranging from density functional theory (DFT) including a van der Waals correction to many-body perturbation theory (MBPT) and the numerical renormalization group (NRG) approach. Regarding the high-energy orbital spectrum, we obtain an excellent agreement with experiments by both spin-polarized DFT/MBPT and NRG. Moreover, the NRG provides an accurate description of the low-energy excitation spectrum of the spin degree of freedom, predicting a Kondo temperature very close to the experimental value. This is achieved by a detailed analysis of the universality of various definitions of TK and by taking into account the full energy dependence of the coupling function between the molecule-metal complex and the metallic substrate. |
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| 536 | _ | _ | |a Nonequilibrium dynamics of quantum impurity systems close quantum phase transitions (hhb00_20130501) |0 G:(DE-Juel1)hhb00_20130501 |c hhb00_20130501 |f Nonequilibrium dynamics of quantum impurity systems close quantum phase transitions |x 1 |
| 542 | _ | _ | |i 2015-04-20 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to CrossRef, juser.fz-juelich.de |
| 700 | 1 | _ | |a Deilmann, Thorsten |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Lechtenberg, Benedikt |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Wagner, Christian |0 P:(DE-Juel1)140276 |b 3 |u fzj |
| 700 | 1 | _ | |a Krüger, Peter |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Temirov, Ruslan |0 P:(DE-Juel1)128792 |b 5 |u fzj |
| 700 | 1 | _ | |a Anders, Frithjof B. |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Rohlfing, Michael |0 P:(DE-HGF)0 |b 7 |
| 700 | 1 | _ | |a Tautz, Frank Stefan |0 P:(DE-Juel1)128791 |b 8 |u fzj |
| 773 | 1 | 8 | |a 10.1103/physrevb.91.144415 |b American Physical Society (APS) |d 2015-04-20 |n 14 |p 144415 |3 journal-article |2 Crossref |t Physical Review B |v 91 |y 2015 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.91.144415 |g Vol. 91, no. 14, p. 144415 |0 PERI:(DE-600)2844160-6 |n 14 |p 144415 |t Physical review / B |v 91 |y 2015 |x 1098-0121 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/189751/files/PhysRevB.91.144415.pdf |y OpenAccess |
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