Investigation of the Soft Mode of SbSBr<sub>x</sub>I<sub>1−x</sub>Crystals

Audzijonis, A.; Žigas, L.; Siroicas, J.; Narušis, J.; Žaltauskas, R.; Pauliukas, A.; Čerškus, Aurimas; Šadžius, R.

doi:10.1080/00150190490442155

Cited by 16 publications

(10 citation statements)

References 26 publications

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“…In [5,6] we proposed the method for calculating the potential energy at point r of the unit cell. This method allows determination of the potential energy at any point r in the unit cell based on standard structural data and requires no additional adjustable parameters for fitting the results to the experimental data.…”

Section: Investigation Of Potential Energy Of Sb Atoms In Anharmonic mentioning

confidence: 99%

See 1 more Smart Citation

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

Audzijonis¹,

Žigas²,

Kvedaravičius³

2011

Ferroelectrics

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The contribution of Sb atoms soft mode to the temperature dependences of the piezoelectric modulus e(T) and atomic equilibrium position's difference z(T) has been studied theoretically, when SbSI crystal is deformed along crystallographic x(a), y(b) and z(c)-axes. The largest change of e(T) occurs in the ferrophase near the phase transition (when T ≈ T C ). At T < T C , the e(T) changes become slow. It has been found that value and anomalous temperature dependence of e(T) and z(T) is influenced by the change of mean potential energy V p (z)of Sb atoms in soft mode due to its interaction with phonons.

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Section: Investigation Of Potential Energy Of Sb Atoms In Anharmonic mentioning

confidence: 99%

“…For theoretical investigations, we used the most sensitive to temperature and deformations soft mode's V p (z) dependence on normal coordinates [6]. It is handy to expand V p (z) using polynomial:…”

Section: Investigation Of Sb Atoms Equilibrium Position's Difference mentioning

confidence: 99%

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

Audzijonis¹,

Žigas²,

Kvedaravičius³

2011

Ferroelectrics

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“…Therefore, the temperature dependence of V p (r) is obtained by introducing the DebyeWaller factor determined by the mean-square amplitude of the thermal vibration of atoms [10]:…”

Section: Investigation Of Potential Energy Of Sb Atoms In Anharmonic mentioning

confidence: 99%

“…We found that phase transition temperature in SbSBr and SbSI crystals depends on form -factors of Br and I atoms. Therefore the phase transition temperature of SbSBr crystal (T C = 22.8 K) and SbSI (T C = 294 K) because form -factor of I atoms f I is larger than form factor f Br of Br atoms (f Br < f I ) [10]. At temperatures T≈T C Sb atoms average potential energyV P (z) depends on amplitude of normal coordinates of B 1u (A u ) symmetry soft mode in paraelectric phase which have double -well form.…”

Section: Introductionmentioning

confidence: 97%

Piezoelectric Properties of Ferroelectric SbSBr Crystal

2013

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The contribution of soft mode at Sb atom's site to the temperature dependences of Sb atom's equilibrium position's difference z 33 (T) has been studied theoretically, when SbSBr crystal is deformed in direction of c(z)-axis in paraelectric and in ferroelectric phases. The largest change of z 33 (T) occurs in the ferroelectric phase near the transition temperature T C = 21 K. The temperature dependence of Sb atom's equilibrium position's displacements z 33 is very similar to the temperature dependence of experimental piezoelectric modulus of SbSBr crystal in ferroelectric phase.

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“…In calculating V ðzÞ we take into account the coordinates R a of all 12 atoms in the unit cell. We evaluate the total potential energy of the atoms V ðrÞ in the normal mode at any point of the lattice r. The expression of the potential energy of these modes is as follows [20]:…”

Section: Investigation Of the Vibrational Spectrum Of Sbsei Crystals mentioning

confidence: 99%

Investigation of the vibrational spectrum of SbSeI crystals in harmonic and in the anharmonic approximations

Audzijonis¹,

Klingshirn

Žigas³

et al. 2007

Physica B: Condensed Matter

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The reflectivity spectrum RðoÞ of SbSeI crystals was experimentally studied in the spectral range of 102300 cm À1 over a wide range of temperatures (10-297 K) with light polarization Ekc and E ? c . The spectra of optical constants and optical functions were calculated using the Kramers-Kronig and optical parameter fitting methods. The dependence of the frequencies o T and o L of the low-frequency B 1u mode (for Ekc) on temperature was obtained from the experiment. From spectra e ll ðoÞ and Imðe À1 ÞðoÞ the frequencies o L and o T of B 1u normal modes were found at temperatures 10-297 K. The frequencies of normal modes and amplitudes of normal coordinates were calculated by diagonalization of the dynamical matrix in harmonic approximation. The properties of the low-frequency B 1u mode are explained in anharmonic approximation by employing the average potential energy function V ðzÞ. The latter is strongly anharmonic and thus causes the frequency of this mode to show a quite strong temperature dependence. The interaction between phonons creates the anharmonicity of low-frequency B 1u vibrational mode. r

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Investigation of the Soft Mode of SbSBr_xI_1−xCrystals

Cited by 16 publications

References 26 publications

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

Piezoelectric Properties of Ferroelectric SbSBr Crystal

Investigation of the vibrational spectrum of SbSeI crystals in harmonic and in the anharmonic approximations

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Investigation of the Soft Mode of SbSBrxI1−xCrystals

Cited by 16 publications

References 26 publications

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

The Nature of Piezoelectricity of Ferroelectric SbSI Crystal

Piezoelectric Properties of Ferroelectric SbSBr Crystal

Investigation of the vibrational spectrum of SbSeI crystals in harmonic and in the anharmonic approximations

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Product

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Investigation of the Soft Mode of SbSBr_xI_1−xCrystals