Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet
The result's identifiers
Result code in 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>
Alternative codes found
RIV/61989100:27740/25:10259943
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Scientific Reports
ISSN
2045-2322
e-ISSN
2045-2322
Volume of the periodical
15
Issue of the periodical within the volume
1
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
36387
UT code for WoS article
001597098200006
EID of the result in the Scopus database
2-s2.0-105019219446