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Loosdrecht, P.H.M. van; Maior, M. M.; Molnar, S.B.; Vysochanskiǐ, Yu. M.; Bentum, P.J.M. van; Kempen, H. van

doi:10.1103/physrevb.48.6014

Cited by 31 publications

(12 citation statements)

References 6 publications

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“…7. The asymmetry parameter (q) is higher at elevated temperature; it depends on the interaction strength between the phonon and the continuum states and on the density of the continuum states [18]. The coupling strength (1/q) between phonon with continuum decreases with increasing temperature.…”

Section: Resultsmentioning

confidence: 99%

Order–disorder transition and Fano-interference in thermoelectric Cu3SbSe3 nanoparticles

Samanta

Gupta

Kaur

et al. 2015

Materials Chemistry and Physics

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Section: Resultsmentioning

confidence: 99%

Order–disorder transition and Fano-interference in thermoelectric Cu3SbSe3 nanoparticles

Samanta

Gupta

Kaur

et al. 2015

Materials Chemistry and Physics

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“…14 -17 According to experimental evidence, ferroelectric phase transitions in Sn 2 1P 2 X 6 (XϭS, Se͒ indicate a crossover between the order-disorder and displacive type. The softening of an optical mode was observed in Raman-scattering 18 and neutron scattering 19,20 spectra. Very recently, a complete spectrum of long-wavelength phonon modes in Sn 2 P 2 S 6 by Raman scattering has been published.…”

Section: Introductionmentioning

confidence: 90%

Electronic structure ofSn2P2S6<

et al. 2003

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The electronic properties of the ferroelectric compound Sn 2 P 2 S 6 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 Sn 2ϩ 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, Sn 2 P 2 S 6 can be viewed as an ionic crystal, built of Sn 2ϩ and the (P 2 S 6 ) 4Ϫ fragments. Within the latter, P-P and P-S bonds are largely covalent and characterized by sp hybridization.

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“…A paraelectric-ferroelectric transition has been identified in the semiconducting chalcogenides M 2 P 2 X 6 (M =Sn, Pb and X=S, Se), and well studied by a variety of methods [71][72][73][74][75][76]. Further interest was stimulated by the observation of a photovoltaic effect in Sn 2 P 2 S 6 crystals [77].…”

Section: M2p2(sse)6 Chalcogenidesmentioning

confidence: 99%

Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

Bennett¹,

Rabe²

2012

Journal of Solid State Chemistry

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In this concept paper, the development of strategies for the integration of first-principles methods with crystallographic database mining for the discovery and design of novel ferroelectric materials is discussed, drawing on the results and experience derived from exploratory investigations on three different systems: (1) the double perovskite Sr(Sb 1/2 Mn 1/2 )O3 as a candidate semiconducting ferroelectric; (2) polar derivatives of schafarzikite M Sb2O4; and (3) ferroelectric semiconductors with formula M2P2(S,Se)6. A variety of avenues for further research and investigation are suggested, including automated structure type classification, low-symmetry improper ferroelectrics, and highthroughput first-principles searches for additional representatives of structural families with desirable functional properties.

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Raman study of the ferroelectric semiconductorSn2P2

Cited by 31 publications

References 6 publications

Order–disorder transition and Fano-interference in thermoelectric Cu3SbSe3 nanoparticles

Order–disorder transition and Fano-interference in thermoelectric Cu3SbSe3 nanoparticles

Electronic structure ofSn2P2S6<

Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

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