Valence fluctuations and Kondo resonance in Co adatom on Cu2N/Cu(100) surface: DFT + ED study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F21%3A00549622" target="_blank" >RIV/68378271:_____/21:00549622 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0325593" target="_blank" >http://hdl.handle.net/11104/0325593</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/1367-2630/ac2d71" target="_blank" >10.1088/1367-2630/ac2d71</a>
Alternative languages
Result language
angličtina
Original language name
Valence fluctuations and Kondo resonance in Co adatom on Cu2N/Cu(100) surface: DFT + ED study
Original language description
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations including the spin-orbit coupling for the Co adatom on the top of Cu2N/Cu(001) surface. It is found that experimentally observed zero-bias peak in differential conductance can occur for quasi-degenerate many-body solution representing a mixed valence state of the Co adatom with the non-integer d manifold occupation of 7.4. Estimated 5 meV inelastic step energy is in a quantitative agreement with the experimental scanning tunnelling spectroscopy value of 6 meV. We find the non-zero spin and orbital magnetic moments in the applied magnetic field, in a reasonable agreement with the x-ray magnetic circular dichroism data. The presence of large orbital magnetic moment was not considered in previous spin-only theoretical interpretations, and can unravel complexity of the physics behind the experimental spectra for Co and other adatoms on Cu2N/Cu(001) surface.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
New Journal of Physics
ISSN
1367-2630
e-ISSN
1367-2630
Volume of the periodical
23
Issue of the periodical within the volume
10
Country of publishing house
GB - UNITED KINGDOM
Number of pages
12
Pages from-to
103037
UT code for WoS article
000711657100001
EID of the result in the Scopus database
2-s2.0-85118916051