Monte Carlo simulation of pressure-induced phase transitions in spin-crossover materials

Abstract

Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction among the distortions of the lattice due to the difference of the molecular sizes in different spin states, i.e., the high spin (HS) state and the low spin (LS) state. We studied how the temperature dependence of the ordering process changes with the pressure, and we obtained a standard sequence of temperature dependences that has been found in changing other parameters such as strength of the ligand field (S. Miyashita et al., Prog. Theor. Phys. \textbf{114}, 719 (2005)). Various effects of pressure on the spin-crossover ordering process are examined from a unified point of view.

5 pages, 6 figures

References in corpus (3)

• Simple Two-Dimensional Model for the Elastic Origin of Cooperativity among Spin States of Spin-Crossover Complexes
• Structure of Metastable States in Phase Transitions with High-Spin Low-Spin Degree of Freedom
• Magnetic Properties and Metastable States in Spin-Crossover Transition of Co-Fe Prussian Blue Analogues

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