Valence fluctuations and Kondo resonance in Co adatom on Cu2N/Cu(100) surface: DFT + ED study

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Valence fluctuations and Kondo resonance in Co adatom on Cu2N/Cu(100) surface: DFT + ED study

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Valence fluctuations and Kondo resonance in Co adatom on Cu2N/Cu(100) surface: DFT + ED study

Popis výsledku anglicky

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.

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

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

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název periodika

New Journal of Physics

ISSN

1367-2630

e-ISSN

1367-2630

Svazek periodika

23

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

103037

Kód UT WoS článku

000711657100001

EID výsledku v databázi Scopus

2-s2.0-85118916051