TY  - JOUR
AU  - Küpper, K.
AU  - Schneider, B.
AU  - Caciuc, V.
AU  - Neumann, M.
AU  - Postnikov, A. V.
AU  - Rüdiger, A.
AU  - Grabar, A. A.
AU  - Vysochanskii, Y. M.
TI  - Electronic structure of Sn2P2S6
JO  - Physical review / B
VL  - 67
IS  - 11
SN  - 0163-1829
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-32426
SP  - 115101
PY  - 2003
N1  - Record converted from VDB: 12.11.2012
AB  - The 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000182035100034
DO  - DOI:10.1103/PhysRevB.67.115101
UR  - https://juser.fz-juelich.de/record/32426
ER  -