Electron-Phonon Interaction as a Mechanism of Phase Transition in the CuInP_{2}S_{6} Crystal

• Authors: D. Bercha , S. Bercha , K. Glukhov , M. Sznajder
• Languages of publication: EN

Abstracts

EN

Studies on the phases of CuInP_{2}S_{6} crystal exhibiting phase transitions of the order-disorder type are performed. A possibility for the cooperative Jahn-Teller effect to occur in this crystal is analyzed. For this purpose, the procedure of constructing the potential energy matrix is generalized for the case of crystal and it is illustrated by the construction of the adiabatic potentials for Γ_{5}-Γ_{5} vibronic coupling for the proto- and paraelectric phases of CuInP_{2}S_{6}. The structure of the obtained potentials is analyzed together with the discussion on the appearance of spontaneous polarization in this crystal.

Keywords

EN

64.60.Cn; 71.15.Mb; 71.70.Ej

Discipline

• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.70.Ej: Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect
• 64.60.Cn: Order-disorder transformations(see also 81.30.Hd Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder in materials science; for effects of disorder on superconducting transition temperature, see 74.62.En)

• Journal: Acta Physica Polonica A
• Year: 2014
• Volume: 126
• Issue: 5
• Pages: 1143-1145

Dates

published

2014-11

Contributors

author

D. Bercha

• Institute of Physics and Chemistry of Solid State, Uzhgorod National University, 54 Voloshin St., 88000 Uzhgorod, Ukraine

author

S. Bercha

• Institute of Physics and Chemistry of Solid State, Uzhgorod National University, 54 Voloshin St., 88000 Uzhgorod, Ukraine

author

K. Glukhov

• Institute of Physics and Chemistry of Solid State, Uzhgorod National University, 54 Voloshin St., 88000 Uzhgorod, Ukraine

author

M. Sznajder

• Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland

References

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Identifiers

DOI

10.12693/APhysPolA.126.1143