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000032426 0247_ $$2DOI$$a10.1103/PhysRevB.67.115101
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000032426 084__ $$2WoS$$aPhysics, Condensed Matter
000032426 1001_ $$0P:(DE-HGF)0$$aKüpper, K.$$b0
000032426 245__ $$aElectronic structure of Sn2P2S6
000032426 260__ $$aCollege Park, Md.$$bAPS$$c2003
000032426 300__ $$a115101
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000032426 440_0 $$04919$$aPhysical Review B$$v67$$x1098-0121
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000032426 520__ $$aThe electronic properties of the ferroelectric compound Sn2P2S6 are investigated by x-ray photoelectron spectroscopy and soft x-ray fluorescence spectroscopy. Excellent agreement between theoretical calculations and experimental data for the electronic structure of the investigated compound is achieved. With help of the Sn core level spectra it is confirmed that the compound contains Sn2+ ions. The valence band mainly consists of five resolvable bands between 3.3 eV and 14.5 eV. Consistent with the results of band-structure calculation and the soft x-ray fluorescence spectra, Sn2P2S6 can be viewed as an ionic crystal, built of Sn2+ and the (P2S6)(4-) fragments. Within the latter, P-P and P-S bonds are largely covalent and characterized by sp hybridization.
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000032426 7001_ $$0P:(DE-HGF)0$$aSchneider, B.$$b1
000032426 7001_ $$0P:(DE-HGF)0$$aCaciuc, V.$$b2
000032426 7001_ $$0P:(DE-HGF)0$$aNeumann, M.$$b3
000032426 7001_ $$0P:(DE-HGF)0$$aPostnikov, A. V.$$b4
000032426 7001_ $$0P:(DE-Juel1)VDB26957$$aRüdiger, A.$$b5$$uFZJ
000032426 7001_ $$0P:(DE-HGF)0$$aGrabar, A. A.$$b6
000032426 7001_ $$0P:(DE-HGF)0$$aVysochanskii, Y. M.$$b7
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000032426 8567_ $$uhttp://hdl.handle.net/2128/1245$$uhttp://dx.doi.org/10.1103/PhysRevB.67.115101
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