Monte Carlo investigation of the phase transition in CsLiSO<sub>4</sub> and CsLiCrO<sub>4</sub> crystals
N G Zamkova; V I Zinenko; N G Zamkova; L.V. Kirensky Inst. of Phys., Krasnoyarsk, Russia; V I Zinenko; L.V. Kirensky Inst. of Phys., Krasnoyarsk, Russia
Журнал:
Journal of Physics: Condensed Matter
Дата:
1994-10-24
Аннотация:
We have studied a model of the order-disorder phase transitions in CsLiSO<sub>4</sub> and CsLiCrO<sub>4</sub>. In this model a BX<sub>4</sub> tetrahedron has four equilibrium orientations in a disordered hexagonal phase. The constants of the interaction between ordered BX<sub>4</sub> groups are calculated in the framework of the electrostatic model. It is shown that these constants have a competitive nature. The Monte Carlo method is applied to study the phase diagrams and thermodynamic properties of the phase transitions. The results obtained are in good agreement with experimental data.
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