Quantum Susceptibility for Structural Transitions Based on Exact Solutions of the Schrödinger Equation

Ashida, Masami; Mashiyama, Hiroyuki

doi:10.1080/00150190701260546

Cited by 3 publications

(3 citation statements)

References 12 publications

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“…For instance, the similar results can be calculated for double-Morse potential(DMP). 16 The similar σ − T 1 relation of Fig. 7 is also obtainable for DMP.…”

Section: Summary and Discussionsupporting

confidence: 73%

Order–Disorder and Displacive Transitions in a Quantum Ising Model

2008

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A ferrodistortive phase transition is analyzed for a quantum particles in a simple quartic potential. The interactions are taken into account by the mean-field approximation. A quantum thermodynamic treatment gives analytic expressions for the static susceptibility, the specific heat and the soft mode frequency. The Rhodes-Wohlfarth ratio is a measure whether the system is order-disorder or displacive, however, the border is fuzzy depending on the interaction strength. The quantum effect is discussed when the transition takes place at low temperature. Whether the atomic density is a single or multiple peak distributions seems to be a definite criterion for the character of the structural phase transition.

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“…For instance, the similar results can be calculated for double-Morse potential(DMP). 16 The similar σ − T 1 relation of Fig. 7 is also obtainable for DMP.…”

Section: Summary and Discussionsupporting

confidence: 73%

Order–Disorder and Displacive Transitions in a Quantum Ising Model

2008

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“…C V 0 seems rather independent of D, whereas the quantity C V − C V 0 , which corresponds to the nonlinear contribution to the anomalous part of the specific heat, seems strongly D dependent and negligible in the high-temperature phase. C V 0 can also correspond to the low-temperature regime approximation of the specific heat, since for low enough temperatures the system is only be able to access both the ground and first excited states [15,46]. Our investigation also shows that, for D = 0.1, the features of the first-order phase transition disappear, and a continuous transition takes place, but with features which distinguish it from ordinary secondorder phase transitions, as can be seen in figure 7, which is one of the cornerstones of the arguments in favor of a tricritical point.…”

Section: Numerical Analysis Discussion Of the Derived Resultsmentioning

confidence: 99%

“…Also, another interesting feature is that the QHM predicts qualitatively different classes of structural phase transitions, and it is practical and interesting to study their thermodynamic properties. On the other hand, it turns out that the QHM considered in this report gives the possibility to use, in full, the thermodynamic method of investigation of the critical properties in one-component systems [13], and its quantum counterpart belongs to the class of quasi-exactly solvable models, which have significant importance for the theory of the critical state [34,46]. Although various physical parameters are intuitive, the scaling hypothesis seems not to hold in it.…”

Section: Introductionmentioning

confidence: 91%

Thermodynamic properties of a quasi-harmonic model for ferroelectric transitions

Tchouobiap

Mashiyama

2011

J. Phys.: Condens. Matter

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Within a framework of a quasi-harmonic model for quantum particles in a local potential of the double Morse type and within the mean-field approximation for interactions between particles, we investigate the thermodynamic properties of ferroelectric materials. A quantum thermodynamic treatment gives analytic expressions for the internal energy, the entropy, the specific heat, and the static susceptibility. The calculated thermodynamic characteristics are studied as a function of temperature and energy barrier, where it is shown that at the proper choice of the theory parameters, particularly the energy barrier, the model system exhibits characteristic features of either second-order tricritical or first-order phase transitions. Our results indicate that the barrier energy seems to be an important criterion for the character of the structural phase transition. The influence of quantum fluctuations manifested on zero-point energy on the phase transition and thermodynamic properties is analyzed and discussed. This leads to several quantum effects, including the existence of a saturation regime at low temperatures, where the order parameter saturates giving thermodynamic saturation of the calculated thermodynamic quantities. It is found that both quantum effects and energy barrier magnitude have an important influence on the thermodynamic properties of the ferroelectric materials and on driving the phase transition at low temperatures. Also, the analytical parameters' effect on the transition temperature is discussed, which seems to give a general insight into the structural phase transition and its nature.

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Quest for hydrogen environments in hydrogen-bonded systems

Kim

2017

Journal of the Korean Physical Society

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Quantum Susceptibility for Structural Transitions Based on Exact Solutions of the Schrödinger Equation

Cited by 3 publications

References 12 publications

Order–Disorder and Displacive Transitions in a Quantum Ising Model

Order–Disorder and Displacive Transitions in a Quantum Ising Model

Thermodynamic properties of a quasi-harmonic model for ferroelectric transitions

Quest for hydrogen environments in hydrogen-bonded systems

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