000070322 001__ 70322
000070322 005__ 20191212100704.0
000070322 0247_ $$2doi$$a10.1103/PhysRevB.97.155139
000070322 0248_ $$2sideral$$a105848
000070322 037__ $$aART-2018-105848
000070322 041__ $$aeng
000070322 100__ $$aNatoli, C.R.
000070322 245__ $$aDetermination 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
000070322 260__ $$c2018
000070322 5060_ $$aAccess copy available to the general public$$fUnrestricted
000070322 5203_ $$aWe 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.
000070322 536__ $$9info:eu-repo/grantAgreement/EUR/COST/MP1306-EUSPEC$$9info:eu-repo/grantAgreement/ES/DGA-FSE/E12-17R-RASMIA$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2017-83468-R
000070322 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc$$uhttp://creativecommons.org/licenses/by-nc/3.0/es/
000070322 592__ $$a1.502$$b2018
000070322 593__ $$aElectronic, Optical and Magnetic Materials$$c2018$$dQ1
000070322 593__ $$aCondensed Matter Physics$$c2018$$dQ1
000070322 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000070322 700__ $$aKruger, P.
000070322 700__ $$0(orcid)0000-0002-6517-1236$$aBartolome, J.$$uUniversidad de Zaragoza
000070322 700__ $$0(orcid)0000-0002-0047-1772$$aBartolome, F.$$uUniversidad de Zaragoza
000070322 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000070322 773__ $$g97, 15 (2018), 155139 [16 pp]$$pPhys. Rev. B$$tPhysical Review B$$x2469-9950
000070322 8564_ $$s642451$$uhttps://zaguan.unizar.es/record/70322/files/texto_completo.pdf$$yVersión publicada
000070322 8564_ $$s25297$$uhttps://zaguan.unizar.es/record/70322/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000070322 909CO $$ooai:zaguan.unizar.es:70322$$particulos$$pdriver
000070322 951__ $$a2019-12-12-10:05:50
000070322 980__ $$aARTICLE