Simulation of multi-steps thermal transition in 2D spin-crossover nanoparticles

Catalin-Maricel Jureschi (1, 2, 3) , Benjamin-Louis Pottier , Jorge Linares (4) , Pierre-Richard Dahoo (5) , Yasser Alayli (3) , Aurelian Rotaru (1, 2)

1 Faculty of Electrical Engineering and Computer Science [Suceava]
2 MANSiD Research Center [Suceava]
3 LISV - Laboratoire d'Ingénierie des Systèmes de Versailles
4 GEMAC - Groupe d'Etude de la Matière Condensée
5 PLANETO - LATMOS

We have used an Ising like model to study the thermal behavior of a 2D spin crossover (SCO) system embedded in a matrix. The interaction parameter between edge SCO molecules and its local environment was included in the standard Ising like model as an additional term. The influence of the system's size and the ratio between the number of edge molecules and the other molecules were also discussed.

Domains: Materials; Condensed Matter [cond-mat]

Catalin-Maricel Jureschi, Benjamin-Louis Pottier, Jorge Linares, Pierre-Richard Dahoo, Yasser Alayli, et al.. Simulation of multi-steps thermal transition in 2D spin-crossover nanoparticles. Physica B: Condensed Matter, 2016, 486, pp.160-163. ⟨10.1016/j.physb.2015.09.037⟩. ⟨insu-01205188⟩