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Magnetochemistry 2016, 2(2), 24; doi:10.3390/magnetochemistry2020024

Surface Effects Leading to Unusual Size Dependence of the Thermal Hysteresis Behavior in Spin-Crossover Nanoparticles

1
GEMAC, Université de Versailles Saint-Quentin-CNRS, Université Paris Saclay, 45 avenue des Etats-Unis, Versailles 78035, France
2
LISV, Université de Versailles Saint-Quentin-en-Yvelines, Université Paris Saclay, Velizy 78140, France
3
Faculty of Electrical Engineering and Computer Science and MANSiD, Stefan cel Mare University, Suceava 720229, Romania
*
Authors to whom correspondence should be addressed.
Academic Editor: Guillem Aromí
Received: 22 January 2016 / Revised: 30 March 2016 / Accepted: 11 April 2016 / Published: 3 May 2016
(This article belongs to the Special Issue Spin Crossover (SCO) Research)
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Abstract

We analyze the size effect on spin-crossover transition nanoparticles in a 2D Ising-like model subject to a specific ligand-field at the surface. By anisotropic sampling method applied to the finite 2D square Ising lattices with various sizes, we determined the density of macro states by scanning the spin configurations. This information, which is independent on the system parameters, is used to exactly calculate the thermal behavior of spin-crossover nanoparticles whose ligand-field of the atoms at the surface is lower than those of the bulk. We found that decreasing the size of the nanoparticles leads to a global increase of the effective interaction, which has the consequence to enhance the width of the thermal hysteresis. This unusual behavior opens a new avenue in controlling the bistability characteristics at small scale, one of the important conditions of applicability of these materials at the nanometric scale. View Full-Text
Keywords: spin crossover; phase transition; nanoparticles; surfaces effects; Monte Carlo simulations spin crossover; phase transition; nanoparticles; surfaces effects; Monte Carlo simulations
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Linares, J.; Jureschi, C.M.; Boukheddaden, K. Surface Effects Leading to Unusual Size Dependence of the Thermal Hysteresis Behavior in Spin-Crossover Nanoparticles. Magnetochemistry 2016, 2, 24.

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