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MA: Fachverband Magnetismus
MA 19: Surface Magnetism
MA 19.1: Vortrag
Dienstag, 19. März 2024, 09:30–09:45, EB 407
Magnetism and electronic structure of a Dy adatom on a MgO(001) substrate — •Alexander B. Shick1,2, Eduard Belsch1,3, and Alexander I. Lichtenstein3,4 — 1Institute of Physics, Czech Academy of Sciences, Na Slovance 2, Prague, CZ — 2Weizmann Institute of Science, Rehovoth, IL — 3Institute of Theoretical Physics, University of Hamburg, Hamburg, DE — 4European X-Ray Free-Electron Laser Facility, Holzkoppel 4, Schenefeld, DE
The electronic structure and magnetism of individual Dy atom adsorbed on the MgO(001) substrate is investigated using the combination of DFT with the Hubbard-I approximation to the Anderson impurity model (DFT+U(HIA)). The divalent Dy2+ adatom in f10 configuration is found. The calculated XAS and XMCD spectra are compared to the experimental data. Quantum tunneling between degenerate |J=8.0, Jz= ± 4.0 ⟩ states leads to formation of |J=8.0, Jz= 0.0 ⟩ ground state with an in-plane orientation of the magnetic moment. It explains absence of remanent magnetization in Dy adatom on the top of MgO(001) substrate. Our studies can provide a viable route for further investigation and prediction of the rare-earth single atom magnets.
Supported by Operational Programme Research, Development and Education financed by European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports (Project No. SOLID21 - CZ.02.1.01/0.0/0.0/16−019/0000760), by the GACR Grant No. 22-22322S, and by the MOIA Grant No. 714471.
Keywords: Molecular magnets; First-principle calculations; Electronic structure