Variation of the energy gap of the SbSI crystals at ferroelectric phase transition

Audzijonis, A.; Žaltauskas, R.; Žigas, L.; Vinokurova, I. V.; Farberovich, O. V.; Pauliukas, A.; Kvedaravičius, A.

doi:10.1016/j.physb.2005.09.039

Cited by 21 publications

(19 citation statements)

References 9 publications

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“…The main properties of SbSI have been reviewed in a few monographs [23][24][25][26][27]. However, the properties of these materials are still investigated [28][29][30][31]. The properties of the 1D SbSI remain little known.…”

Section: Introductionmentioning

confidence: 99%

Infrared spectroscopy of ferroelectric nanowires of antimony sulfoiodide

Starczewska¹,

Wrzalik²,

Nowak³

et al. 2008

Infrared Physics & Technology

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Section: Introductionmentioning

confidence: 99%

Infrared spectroscopy of ferroelectric nanowires of antimony sulfoiodide

Starczewska¹,

Wrzalik²,

Nowak³

et al. 2008

Infrared Physics & Technology

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“…[5], though its relation with the energy gap variation was not disclosed. The more detailed study of the energy gap variation was analyzed on the basis of calculations using the empirical pseudo-potential method for the paraelectric and ferroelectric phase [6]. The electronic energy spectrum in range +5 to -5 eV in both phases of SbSI was calculated [7] with particular attention paid to the choice of the chemical bonding model of the crystals.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of the electronic structure of a ferroelectric SbSI cluster at a phase transition

Audzijonis¹,

Gaigalas²,

Žigas³

et al. 2005

Open Physics

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This paper presents the theoretical investigation of energy levels of valence bands (VB) and core levels (CL) of the ferroelectric SbSI single crystals in antiferroelectric and ferroelectric phases. Since the best approximation for the deep VB levels is a calculation by the Hartree-Fock method, the molecular model of a SbSI crystal was used for calculations. This model of the crystal was also used for calculations of the total density of states. It was found that the VB and CL of this ferroelectric semiconductor are sensitive to the small lattice distortion at the phase transition, and that an average of the total density of states, when all atoms participate in oscillations of all normal modes, are more similar to the experimental X-ray photoelectron spectra (XPS). The experimental splitting of CL obtained by XPS was compared with the theoretically calculated one by two different methods. The cluster model calculations showed that the splitting of the CL in SbSI might be caused by photoelectron emission from the atoms, which have different valence state, at the surface.

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“…Figure 1 shows experimental exponential absorption edge slope σ/kT dependence on the temperature (curve 1) when K = 150cm −1 and E⊥ c. Slope dependence on the temperature for E|| c we have discussed in Ref. [9]. For the comparison isoabsorption E K dependence on temperature is shown in the same figure (curve 2).…”

Section: Resultsmentioning

confidence: 88%

“…This method in more detail is described in Ref. [9]. It is worth to mention that exponential absorption edge expressed in a form of K = K 0 exp[−σ (E 0 − E)/kT ] contains parameters describing electron phonon interaction which we would like to show are very important in AFP.…”

Section: Methodsmentioning

confidence: 99%

Origin of the Optical Anomalies Near the Ferroelectric Phase Transition in SbSI and SbSBr Crystals

Audzijonis¹,

Žigas²,

Žaltauskas³

et al. 2008

Ferroelectrics Letters Section

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Experimental investigation of SbSI exponential absorption tail of slope σ/kT (T ) and isoabsorption energy E K (T ) at K = const reveal that in ferroelectric phase transition region at T c the slope σ/kT (T ) has anomalous behavior. Explanation of this phenomena presented using electronic potential V (z) dependence upon high frequency mode B 1u symmetry normal coordinates in c(z) direction taking into account thermal fluctuations of the atoms in x − y plane. The splitting of B 1u normal modes in double-well V (z) explains anomalous behavior σ/kT (T ) at the ferroelectric phase transition region in SbSI and SbSBr crystals.

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Variation of the energy gap of the SbSI crystals at ferroelectric phase transition

Cited by 21 publications

References 9 publications

Infrared spectroscopy of ferroelectric nanowires of antimony sulfoiodide

Infrared spectroscopy of ferroelectric nanowires of antimony sulfoiodide

Theoretical investigation of the electronic structure of a ferroelectric SbSI cluster at a phase transition

Origin of the Optical Anomalies Near the Ferroelectric Phase Transition in SbSI and SbSBr Crystals

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