Phase diagram for a model of spin-crossover in molecular crystals

J. Quetzalcóatl Toledo-Marín, Carlos Rodriguez, Yosdel Plasencia Montesinos and Gerardo G. Naumis

Physica A: Statistical Mechanics and its Applications, 2020, vol. 559, issue C

Abstract: Spin-crossover has a wide range of applications from memory devices to sensors. This has to do mainly with the nature of the transition, which may be abrupt, gradual or incomplete and may also present hysteresis. This transition alters the properties of a given sample, such as magnetic moment, color and electric resistance to name some. Yet, a thorough understanding of the phenomenon is still lacking. In this work a simple model is provided to mimic some of the properties known to occur in spin-crossover. A detailed study of the model parameters is presented using a mean field approach and exhaustive Monte Carlo simulations. A good agreement is found between the analytical results and the simulations for certain regions in the parameter-space. This mean field approach breaks down in parameter regions where the correlations and cooperativity may no longer be averaged over.

Date: 2020
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:559:y:2020:i:c:s0378437120305604

DOI: 10.1016/j.physa.2020.125069

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