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

6th International Workshop on Multi-Rate Processes and Hysteresis

Chiruta, D.^1,2,3 ; Linares, J.^1 ; Dahoo, P.R.^4 ; Dimian, M.^3

GEMAC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), Versailles Cedex

78035, France^1

LISV, Université de Versailles Saint-Quentin-en-Yvelines, Velizy

78140, France^2

Department of Electrical Engineering and Computer Science, Stefan Cel Mare University, Suceava

720229, Romania^3

LATMOS, Université de Versailles-Saint-Quentin-en-Yvelines, CNRS-UPMC-UVSQ (UMR 8190), Guyancourt

78280, France^4

关键词: Co-operative effects;    Ising-type models;    Semi-analytical methods;    Short range interactions;    Short-range and long-range interactions;    Spin-crossover compounds;    Strong correlation;    Three-dimensional networks;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/585/1/012004/pdf
DOI  :  10.1088/1742-6596/585/1/012004

来源: IOP

【 摘 要 】

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.