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

D Chiruta,P R Dahoo,J Linares,M Dimian

doi:10.1088/1742-6596/585/1/012004

Abstract

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.

Highlights

The predictions which consider that, the density of the future recording materials is approaching its limit, imply that more theoretical studies to be done to overcome this obstacle
Taking into account the second hypothesis, in this paper we study a spin transition accompanied by a hysteresis loop and we show the importance of the strength of short-range interaction in understanding the properties and predicting the behavior of spin crossover (SCO) compounds [6, 7]
Analysis of the method and short-range interaction effect In this work we adopt a consistent method based on the bisection method [22] and we show the evolution of nHS, high-spin fraction, as a function of temperature for different physical parameters values

Summary

Introduction

The predictions which consider that, the density of the future recording materials is approaching its limit, imply that more theoretical studies to be done to overcome this obstacle. Taking into account the second hypothesis, in this paper we study a spin transition accompanied by a hysteresis loop and we show the importance of the strength of short-range interaction in understanding the properties and predicting the behavior of SCO compounds [6, 7]. The article is organized as follows: in section 2, we present and explain the Ising-like model with both short range (J) and long range (G) interactions.

Results

Conclusion