Title
Ising-like model applied to a triangular lattice of 2D spin-crossover nanoparticles: Evidence of a re-entrant phase transition
Date Issued
21 December 2018
Access level
open access
Resource Type
conference paper
Author(s)
Publisher(s)
Institute of Physics Publishing
Abstract
We consider a 2D spin crossover (SCO) nanoparticles configuration under the influence of an external environment. Each nanoparticle is at the vertex of a triangular lattice leading to hexagonal-shaped systems. Each molecule located in the bulk is then connected to six nearest-neighbours (nn) while those situated at the surface have three or four nn. Adapting the entropic sampling Monte Carlo method, using three parameters: n HS (the total high spin fraction), s (the correlation: the sum of nn interactions the molecules) and n s HS (the high-spin fraction at the surface), we determined the density of macrostates D(nHS, n s HS,s) by scanning the full spin configurations. This information is then used to analyse the thermal behaviour of the system taking into account for the short- (J) and long-range (G) interactions as well for the interactions (L) between the molecules at the surface and the matrix (environment). The present contribution is devoted to the investigations of the required physical conditions which allow this triangular 2D lattice to exhibit a re-entrant phase transition, in particular when the size of the nanoparticles is reduced.
Volume
1141
Issue
1
Language
English
OCDE Knowledge area
Nano-materiales
Scopus EID
2-s2.0-85059405817
Source
Journal of Physics: Conference Series
ISSN of the container
17426588
Conference
7th International Conference on Mathematical Modeling in Physical Sciences, IC-MSQUARE 2018
Sources of information: Directorio de Producción Científica Scopus