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    X- and Q-band ENDOR study of the Fe+(II) center in chlorinated SrCl2:Fe crystals

    D. Ghica and S. V. Nistor

    H. Vrielinck and F. Callens

    D. Schoemaker

    • National Institute of Material Physics, POB MG-7 Magurele, 77125 Bucharest, Romania

    • Department of Solid State Sciences, Ghent University, Krijgslaan 281, S1, B-9000 Gent, Belgium

    • Physics Department, University of Antwerp, Universiteitsplein 1, B-2610 Antwerpen (Wilrijk), Belgium

    Phys. Rev. B 70, 024105 – Published 28 July, 2004

    DOI: https://doi.org/10.1103/PhysRevB.70.024105

    Abstract

    The 001 axially symmetric Fe+(II) center observed in SrCl2:Fe2+ crystals has been studied by the electron nuclear double resonance (ENDOR) technique in the microwave X and Q bands. This center is produced only in crystals grown in chlorine atmosphere and x-ray irradiated at low temperature (below 100K). The analysis of the ENDOR spectra unambiguously confirms the structural model earlier suggested by the electron paramagnetic resonance (EPR) study, as a Fe+ ion strongly displaced off center along an 001 axis, almost in the center of the square determined by the four nearest Cl ligands. The unpaired spin densities f3s and f3p in the 3s and 3p chlorine orbitals have been determined from the resulting ENDOR parameters.

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