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

[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.

[发布机构] 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

[效力级别] 数学

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