Theoretical model for multiorbital Kondo screening in strongly correlated molecules with several unpaired electrons
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F24%3A73626570" target="_blank" >RIV/61989592:15640/24:73626570 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/24:00599621 RIV/00216208:11320/24:10486853
Result on the web
<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.110.165113" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.110.165113</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.110.165113" target="_blank" >10.1103/PhysRevB.110.165113</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical model for multiorbital Kondo screening in strongly correlated molecules with several unpaired electrons
Original language description
The mechanism of Kondo screening in strongly correlated molecules with several unpaired electrons on a metal surface is still under debate. Here, we provide a theoretical framework that rationalizes the emergence of Kondo screening involving several extended molecular orbitals with unpaired electrons. We introduce a perturbative model, which provides simple rules to identify the presence of antiferromagnetic spin-flip channels involving charged molecular multiplets responsible for Kondo screening. The Kondo regime is confirmed by numerical renormalization group calculations. In addition, we introduce the concept of Kondo orbitals as molecular orbitals associated with the Kondo screening process, which provide a direct interpretation of experimental dI/dV I / d V maps of Kondo resonances. We demonstrate that this theoretical framework can be applied to different strongly correlated open-shell molecules on metal surfaces, obtaining good agreement with previously published experimental data.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
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
2024
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
2469-9950
e-ISSN
2469-9969
Volume of the periodical
110
Issue of the periodical within the volume
16
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
—
UT code for WoS article
001335495100004
EID of the result in the Scopus database
2-s2.0-85207289207