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%2F61989592%3A15640%2F24%3A73626570" target="_blank" >RIV/61989592:15640/24:73626570 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/24:00599621 RIV/00216208:11320/24:10486853

Výsledek na webu

<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>

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 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.

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 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

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

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

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

8

Strana od-do

—

Kód UT WoS článku

001335495100004

EID výsledku v databázi Scopus

2-s2.0-85207289207