Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00430046" target="_blank" >RIV/68378271:_____/13:00430046 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.87.075407" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.87.075407</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.87.075407" target="_blank" >10.1103/PhysRevB.87.075407</a>
Alternative languages
Result language
angličtina
Original language name
Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals
Original language description
The electronic structure of cobalt-phthalocyanine (CoPc) molecules adsorbed on Ag(100) is investigated by photoemission spectroscopy. The results are compared to first-principles electronic structure calculations, based on many-body perturbation theory in the GW approximation. The photoemission data, obtained from both multilayer and monolayer films of CoPc, show that charge transfer occurs between the first molecular layer and the metal surface. Varying the photon energy, to tune the photoionization cross sections, reveals that the charge-transfer-related interface states mainly involve the Co 3d atomic orbitals of the Co central atom. GW calculations for the neutral CoPc molecule and its anion compare well with the experimental observations for a multilayer and a monolayer CoPc film, respectively. They confirm the major role played by the Co atom in the charge-transfer process and elucidate the complex energy rearrangement of the molecular electronic levels upon metal adsorption.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LG12003" target="_blank" >LG12003: Materials science beamline at synchrotron Elettra in Trieste</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review. B
ISSN
1098-0121
e-ISSN
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Volume of the periodical
87
Issue of the periodical within the volume
7
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
"075407-1"-"075407-9"
UT code for WoS article
000314682600006
EID of the result in the Scopus database
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