XPS of Electronic Structure of Ferroelectric Sn2P2S6Crystals

Grigas, J.; Talik, E.; Lazauskas, V.; Vysochanskii, Yulian M.; Yevych, R.; Adamiec, Małgorzata; Nelkinas, V.

doi:10.1080/00150190902845145

Cited by 21 publications

(18 citation statements)

References 5 publications

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“…The experimental data of XPS spectroscopy [19,30] about electron energy spectra near the top of VB in the paraelectric and the ferroelectric phases of Sn 2 P 2 S 6 crystal confirm the lowering of the electron energy state density at transition into acentric structure. The calculations of energy spectra show big enough contribution of tin s orbitals into electron state density near the top of the VB and permit a possibility for tracing their change at the phase transition (Figure 5).…”

Section: Stereoactiviy Of Lone 5s2 Electron Pair Of Sn2+ Cationsmentioning

confidence: 83%

“…Determined by positions of XPS spectral lines [19], the energy of chemical binding for the 4 d core orbitals in the ferroelectric phase differently increases for the two types of tin cations. This is obviously defined by the growing of 5 s 2 electrons’ lone pair stereoactivity and by these electrons’ redistribution on the p orbitals that are more distanced from tin cores.…”

Section: Stereoactiviy Of Lone 5s2 Electron Pair Of Sn2+ Cationsmentioning

confidence: 99%

“…Through the Mössbauer effect investigations for the 119 Sn nucleus [16] and the NMR spectroscopy for isotopes 31 P and 119 Sn [17,18], the important changes of chemical bonding at the ferroelectric phase transition in Sn 2 P 2 S 6 were found. The X-ray photoelectron spectroscopy confirms growth of the chemical bonds covalence in the ferroelectric phase [19]. …”

Section: Introductionmentioning

confidence: 99%

“…Grigas et al [19,30] calculated the electronic structure of both paraelectric and ferroelectric phases of Sn 2 P 2 S 6 using the cluster approach. For the Sn 2 P 2 Se 6 selenide analog, the electronic structure have been investigated [31] by first-principles calculations only for the paraelectric phase.…”

Section: Introductionmentioning

confidence: 99%

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Electronic Structure and Phase Transition in Ferroelectic Sn2P2S6 Crystal

Глухов

Fedyo

Banys

et al. 2012

IJMS

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An analysis of the P2S6 cluster electronic structure and its comparison with the crystal valence band in the paraelectric and ferroelectric phases has been done by first-principles calculations for Sn2P2S6 ferroelectrics. The origin of ferroelectricity has been outlined. It was established that the spontaneous polarization follows from the stereochemical activity of the electron lone pair of tin cations, which is determined by hybridization with P2S6 molecular orbitals. The chemical bonds covalence increase and rearrangement are related to the valence band changes at transition from the paraelectric phase to the ferroelectric phase.

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Section: Stereoactiviy Of Lone 5s2 Electron Pair Of Sn2+ Cationsmentioning

confidence: 83%

Section: Stereoactiviy Of Lone 5s2 Electron Pair Of Sn2+ Cationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electronic Structure and Phase Transition in Ferroelectic Sn2P2S6 Crystal

Глухов

Fedyo

Banys

et al. 2012

IJMS

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“…[1][2][3][4] Fast response times and high gain factors make this material well suited for photorefractive applications in the red and near-infrared regions of the spectrum. [5][6][7][8][9][10][11][12][13] Specific dopants, such as Sb, Te, and Bi, are known to significantly affect the wavelength response and the speed of the photorefractive effect in the Sn 2 P 2 S 6 crystals.…”

Section: Introductionmentioning

confidence: 99%

Photoinduced EPR study of Sb2+ions in photorefractive Sn2P2S
Brant
¹
,
Halliburton
²
,
Basun
³

et al. 2012
Phys. Rev. B
17
1
7
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Single crystals of Sn 2 P 2 S 6 are both ferroelectric and photorefractive. Antimony (Sb) ions are optically active in this material and play an important role in optimizing the photorefractive response. Electron paramagnetic resonance (EPR) is used to determine the site and charge states of the Sb ions in Sn 2 P 2 S 6 and to illustrate the photocharging behavior of these ions. In as-grown crystals, Sb 3+ ions substitute for Sn 2+ ions. A multiline EPR spectrum from Sb 2+ ions is observed after exposing a crystal at 30 K to either 633-or 442-nm laser light. These Sb 2+ ions are thermally stable at low temperature after the light is removed. They revert back to Sb 3+ ions when the crystal is warmed above 250 K for a few minutes. The EPR spectrum has S = 1/2 and consists of well-resolved sets of hyperfine lines from 121 Sb and 123 Sb nuclei. Spin Hamiltonian parameters are obtained from the angular dependence of the spectrum (principal values are 1.810, 1.868, and 1.887 for the g matrix and 1404, 1687, and 1849 MHz for the 121 Sb hyperfine matrix). These parameters provide evidence that the wave function for the unpaired spin has significant p-like character and has overlap with neighboring ions.

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