Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00643201" target="_blank" >RIV/68378271:_____/25:00643201 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/25:10259943

Výsledek na webu

<a href="https://hdl.handle.net/11104/0373070" target="_blank" >https://hdl.handle.net/11104/0373070</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41598-025-20466-z" target="_blank" >10.1038/s41598-025-20466-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet

Popis výsledku v původním jazyce

The electronic structure and magnetism of individual Dy atoms adsorbed on ferromagnetic (Gr)/Ni(111) substrate are investigated using a combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT+U(HIA)). The divalent Dy adatom in configuration with [J=8, L=6, S=2] is found. The values of spin MS=3.4, orbital ML=5.2, and total MJ=8.6 magnetic moments calculated for the Dy f-shell are noticeably different from the atomic second Hund’s rule. There is almost zero moment on (Gr)-atoms. The ferromagnetic Ni substrate moments are anti-aligned to the Dy 4f-shell moment. The X-ray absorption (XAS) and magnetic circular dichroism (XMCD) spectra are calculated and can be compared to the experimental data. The magnetic anisotropy energy (MAE) is calculated from the ground state energy difference for different directions of the magnetization, E[100] - E[001] = 3.5 meV and E[010] - E[001] = 2.2 meV. This large and positive MAE can be important for ultra-high density magnetic recording. The magnetization of Dy@(Gr)/Ni(111) is tilted with respect to the (Gr)/Ni(111) substrate normal by due to a competition between negative first and third order magnetic anisotropies and strong and positive second order magnetic anisotropies. Our studies assist in resolving ambiguities of conventional DFT+U applied to Dy on graphene. They can provide a viable route for further investigation and prediction of the rare-earth based magnetic nanostructures.

Název v anglickém jazyce

Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet

Popis výsledku anglicky

The electronic structure and magnetism of individual Dy atoms adsorbed on ferromagnetic (Gr)/Ni(111) substrate are investigated using a combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT+U(HIA)). The divalent Dy adatom in configuration with [J=8, L=6, S=2] is found. The values of spin MS=3.4, orbital ML=5.2, and total MJ=8.6 magnetic moments calculated for the Dy f-shell are noticeably different from the atomic second Hund’s rule. There is almost zero moment on (Gr)-atoms. The ferromagnetic Ni substrate moments are anti-aligned to the Dy 4f-shell moment. The X-ray absorption (XAS) and magnetic circular dichroism (XMCD) spectra are calculated and can be compared to the experimental data. The magnetic anisotropy energy (MAE) is calculated from the ground state energy difference for different directions of the magnetization, E[100] - E[001] = 3.5 meV and E[010] - E[001] = 2.2 meV. This large and positive MAE can be important for ultra-high density magnetic recording. The magnetization of Dy@(Gr)/Ni(111) is tilted with respect to the (Gr)/Ni(111) substrate normal by due to a competition between negative first and third order magnetic anisotropies and strong and positive second order magnetic anisotropies. Our studies assist in resolving ambiguities of conventional DFT+U applied to Dy on graphene. They can provide a viable route for further investigation and prediction of the rare-earth based magnetic nanostructures.

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

2025

Kód důvěrnosti údajů

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

Název periodika

Scientific Reports

ISSN

2045-2322

e-ISSN

2045-2322

Svazek periodika

15

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

36387

Kód UT WoS článku

001597098200006

EID výsledku v databázi Scopus

2-s2.0-105019219446