Mean-Field Behavior of the Paraelectric-Ferroelectric Phase Transition of a Fluorinated Compound

2002 ◽  
Vol 276 (1) ◽  
pp. 29-36 ◽  
Author(s):  
A. Fąfara ◽  
D. Ganzke ◽  
W. Haase ◽  
M. Marzec ◽  
S. Wróbel ◽  
...  
2008 ◽  
Vol 22 (31) ◽  
pp. 3099-3111 ◽  
Author(s):  
CHUNDONG WANG ◽  
BAOHUA TENG ◽  
XIANJUN ZHANG ◽  
XIAOHUA LU ◽  
DENGMU CHENG ◽  
...  

The mean-field expressions derived from the transverse Ising model are used to investigate the second-order ferroelectric phase transition. With this theory, the properties of ferroelectric thin films formed by inserting a monolayer of material B into material A in the middle was studied. Firstly, a recursive equation for the phase transition properties of the ferroelectric thin film with one distinct inserting-layer in the middle was obtained. Next, the effect of the exchange interaction and transverse field parameters of materials A and B on the phase diagrams was investigated. The results show that with the modification of the parameter values of the inserting-layer B, the properties of the phase transition, the crossover value of the transverse field, the polarizations of different layers, and the critical temperature, change sensitively.


2021 ◽  
Vol 2070 (1) ◽  
pp. 012059
Author(s):  
K Kumar ◽  
T C Upadhyay ◽  
A Joshi

Abstract By applying two-time thermal dependent Zuberav’s statistical, retarded Green function approach and modified earlier simple PLCM model Hamiltonian by adding some extra terms into it, like third-order and fourth-order, phonon anharmonic interactions, direct spin-spin terms, extra spin-lattice terms, and four body interaction terms, for theoretical investigation of thermal dependent spontaneous polarization and ferroelectric phase transition in the first-order phase, of RbH2AsO4crystal. It undergoes a ferroelectric phase transition at 109.9K. With the help of Dyson’s equation in the Mean-Field Approximation (MFA), theoretical formulae are obtained for electrical permittivity, tangent delta, Cochran’s mode frequency, spontaneous polarization, and response function. Model values are fitted for the above physical parameters to obtain variations with temperature. A comparison of theoretical finding has been made with the experimental finding reported by Blinc et al [12], and Zolototrubov et al[8].


2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Đorđe Dangić ◽  
Olle Hellman ◽  
Stephen Fahy ◽  
Ivana Savić

AbstractThe proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity κ. However, the κ of GeTe increases at the ferroelectric phase transition near 700 K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in κ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase. Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra. To account for these effects, we implement a method of calculating κ based on the Green-Kubo approach and find that the Boltzmann transport equation underestimates κ near the phase transition. Our findings elucidate the influence of structural phase transitions on κ and provide guidance for design of better thermoelectric materials.


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