Determination of the ground state of an Au-supported FePc film based on the interpretation of Fe K- and L-edge x-ray magnetic circular dichroism measurements
Resumen: We determine the magnetic ground state of the FePc molecule on Au-supported thin films based on the observed values of orbital anisotropy and spectroscopic x-ray magnetic circular dichroism (XMCD) measurements at the Fe K and L edges. Starting from ab initio molecular orbital multiplet calculations for the isolated molecule, we diagonalize the spin-orbit interaction in the subspace spanned by the three lowest spin triplet states of (3)A(2g) and E-3(g) symmetry in the presence of a saturating magnetic field at a polar angle theta with respect to the normal to the plane of the film, plus an external perturbation representing the effect of the molecules in the stack on the FePc molecule under consideration. We find that the orbital moment of the ground state strongly depends on the magnetic field direction in agreement with the sum rule analysis of the L-23-edge XMCD data. We calculate integrals over the XMCD spectra at the Fe K and L-23 edges as used in the sum rules and explicitly show that they agree with the expectation values of the orbital moment and effective spin moment of the ground state. On the basis of this analysis, we can rule out alternative candidates proposed in the literature.
Idioma: Inglés
DOI: 10.1103/PhysRevB.97.155139
Año: 2018
Publicado en: Physical Review B 97, 15 (2018), 155139 [16 pp]
ISSN: 2469-9950

Factor impacto SCIMAGO: 1.502 - Electronic, Optical and Magnetic Materials (Q1) - Condensed Matter Physics (Q1)

Financiación: info:eu-repo/grantAgreement/EUR/COST/MP1306-EUSPEC
Financiación: info:eu-repo/grantAgreement/ES/DGA-FSE/E12-17R-RASMIA
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2017-83468-R
Tipo y forma: Article (Published version)
Área (Departamento): Área Física Materia Condensada (Dpto. Física Materia Condensa.)

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 Record created 2018-05-09, last modified 2019-12-12

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