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DF: Dielektrische Festkörper
DF 7: Poster
DF 7.6: Poster
Wednesday, March 26, 2003, 14:30–18:00, P2a
Electronic Structure of Sn2P2S6 — •A. Selinger1, K. Kuepper1, A.V. Postnikov1,2, V. Caciuc1,3, A. Ruediger4, A.A. Grabar5, Yu.M. Vysochanskii5, and M. Neumann1 — 1Fachbereich Physik, Barbarastr. 7, Universität Osnabrück, D-49069 Osnabrück — 2Institute of Metal Physics, S. Kowalewskoj 18, 620219 Yekaterinburg, Russia — 3Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany — 4University of Cambridge, Department of Earth Sciences, Downing Street, Cambridge CB2 3EQ, United Kingdom — 5Uzhgorod University, Pidhirna 46, 88000 Uzhgorod, Ukraine
Tin-hypothiodiphosphate (Sn2P2S6) is a ferroelectric compound with remarkable photorefractive properties [1,2]. We investigated the electronic structure of Sn2P2S6 by x-ray photoelectron spectroscopy and soft x-ray fluorescence spectroscopy in combination with theoretical first-priciple electronic calculations. Excellent agreement between theory and experiment data for the electronic structure of the investigated compound is achieved. With help of the Sn core level spectra it is confirmed that the compound contains Sn2+-ions. The valence band mainly consists of five resolvable bands between 3.3 eV and 14.5 eV. Sn2P2S6 can be viewed as an ionic crystal, built of Sn2+ and the (P2S6)4− clusters. Inside the cluster, P–P and P–S bonds are largely covalent and characterized by sp-hybridization.
[1] A.A. Grabar et al., Opt. Commun. 188, 187 (2001), [2]A. Shumelyuk et al., Appl. Phys. B 72, 707 (2001)