Ground state of Ho atoms on Pt(111) metal surfaces: implications for magnetism.
PBN-AR
Instytucja
Wydział Chemii (Uniwersytet Wrocławski)
Informacje podstawowe
Główny język publikacji
en
Czasopismo
Physical Review B
ISSN
1098-0121
EISSN
1550-235X
Wydawca
American Physical Society
Rok publikacji
2016
Numer zeszytu
Strony od-do
184415/1-184415/7
Numer tomu
93
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(liczba autorów: 2)
Pozostali autorzy
+ 1
Streszczenia
Język
eng
Treść
We investigated the ground state of Ho atoms adsorbed on the Pt(111) surface, for which conflicting results exist. The density functional theory (DFT) calculations yielded the Ho ground state asU+0026amp;nbsp;|Jz=U+0026amp;plusmn;8⟩. Interpretation of x-ray absorption spectroscopy and x-ray magnetic circular dichroism spectra and the magnetization curves indicated the ground state asU+0026amp;nbsp;|Jz=U+0026amp;plusmn;6⟩. Superposition model is employed to predict the crystal-field (CF) parameters based on the structural data for the system Ho/Pt(111) obtained from the DFT modeling. Simultaneous diagonalization of the free-ionU+0026amp;nbsp;(HFI)U+0026amp;nbsp;and the trigonal CF HamiltonianU+0026amp;nbsp;(HCF)U+0026amp;nbsp;within the whole configurationU+0026amp;nbsp;4f10U+0026amp;nbsp;ofU+0026amp;nbsp;Ho3+U+0026amp;nbsp;ion was performed. The role of the trigonal CF terms, neglected in the pure uniaxial CF model used previously for interpretation of experimental spectra, is found significant, whereas the sixth-rank CF terms may be neglected in agreement with the DFT predictions. The results provide substantial support for the experimental designation of theU+0026amp;nbsp;|Jz=U+0026amp;plusmn;6⟩U+0026amp;nbsp;ground state, albeit with subtle difference due to admixture of otherU+0026amp;nbsp;|Jz⟩U+0026amp;nbsp;states, but run against the DFT-based designation of theU+0026amp;nbsp;|Jz=U+0026amp;plusmn;8⟩U+0026amp;nbsp;ground state. A subtle splitting of the ground energy level with the state (predominantly),U+0026amp;nbsp;|Jz=U+0026amp;plusmn;6⟩U+0026amp;nbsp;is predicted. This paper provides better insight into the single-ion magnetic behavior of the Ho/Pt(111) system by helping to resolve the controversy concerning the Ho ground state. Experimental techniques with greater resolution powers are suggested for direct confirmation of this splitting andU+0026amp;nbsp;C3vU+0026amp;nbsp;symmetry experienced by the Ho atom.
Cechy publikacji
original-article
Inne
System-identifier
2016CH7823
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