Monte Carlo - Metropolis Investigations of Shape and Matrix Effects in 2D and 3D Spin-Crossover Nanoparticles

5th International Conference on Mathematical Modeling in Physical Sciences

物理学;数学

Guerroudj, Salim^1,2 ; Caballero, Rafael^3 ; De Zela, Francisco^3 ; Jureschi, Catalin^2,4 ; Linares, Jorge^5 ; Boukheddaden, Kamel^5

Département de Sciences Physique, UVSQ, Université Paris Saclay, Versailles Cedex

F-78035, France^1

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

78140, France^2

Departamento de Ciencias, Sección Física, Pontificia Universidad Católica Del Perú, Lima

1761, Peru^3

Faculty of Electrical Engineering and Computer Science and Research Center MANSiD, Stefan Cel Mare University, Suceava

720229, Romania^4

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

78035, France^5

关键词: Ising-like models;    Long range interactions;    Matrix effects;    Size and shape effect;    Spin crossovers;    Surface effect;    Thermal behaviours;    Thermal hysteresis;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/738/1/012068/pdf
DOI  :  10.1088/1742-6596/738/1/012068

来源: IOP

【 摘 要 】

The Ising like model, taking into account short-, long-range interaction as well as surface effects is used to investigate size and shape effects on the thermal behaviour of 2D and 3D spin crossover (SCO) nanoparticles embedded in a matrix. We analyze the role of the parametert, representing the ratio between the number of surface and volume molecules, on the unusual thermal hysteresis behaviour (appearance of the hysteresis and a re-entrance phase transition) at small scales.