Theoretical model for multiorbital Kondo screening in strongly correlated molecules with several unpaired electrons

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F24%3A00599621" target="_blank" >RIV/68378271:_____/24:00599621 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15640/24:73626570 RIV/00216208:11320/24:10486853

Výsledek na webu

<a href="https://doi.org/10.1103/physrevb.110.165113" target="_blank" >https://doi.org/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>

Jazyk výsledku

angličtina

Název v původním jazyce

Theoretical model for multiorbital Kondo screening in strongly correlated molecules with several unpaired electrons

Popis výsledku v původním jazyce

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 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.

Název v anglickém jazyce

Theoretical model for multiorbital Kondo screening in strongly correlated molecules with several unpaired electrons

Popis výsledku anglicky

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 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

110

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

165113

Kód UT WoS článku

001335495100004

EID výsledku v databázi Scopus

2-s2.0-85207289207