Analysis of hysteretic spin transition and size effect in 3D spin crossover compounds investigated by Monte Carlo Entropic sampling technique in the framework of the Ising-type model

In spin crossover (SCO) systems, the shape of the hysteresis curves are closely related to the interactions between the molecules, which these play an important role in the response of the system to an external parameter. The effects of short-range interactions on the different shape of the spin tra...

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Bibliographic Details
Published in:Journal of physics. Conference series 2015-02, Vol.585 (1), p.12004-11
Main Authors: Chiruta, D, Linares, J, Dahoo, P R, Dimian, M
Format: Article
Language:English
Subjects:
Computer simulation
Condensed Matter
Correlation
Crossovers
Hysteresis
Ising model
Materials Science
Monte Carlo methods
Physics
Sampling
Sampling methods
Sampling techniques
Size effects
Spin transition
Three dimensional
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Summary:In spin crossover (SCO) systems, the shape of the hysteresis curves are closely related to the interactions between the molecules, which these play an important role in the response of the system to an external parameter. The effects of short-range interactions on the different shape of the spin transition phenomena were investigated. In this contribution we solve the corresponding Hamiltonian for a three-dimensional SCO system taking into account short-range and long-range interaction using a biased Monte Carlo entropic sampling technique and a semi-analytical method. We discuss the competition between the two interactions which governs the low spin (LS) - high spin (HS) process for a three-dimensional network and the cooperative effects. We demonstrate a strong correlation between the shape of the transition and the strength of short-range interaction between molecules and we identified the role of the size for SCO systems.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/585/1/012004