Three stable states simulated for 1D Spin-Crossover Nanoparticles using the Ising-Like model

Abstract : In the present work, numerical simulations for spin crossover 1D nanoparticles embedded in a matrix are presented and discussed in the framework of the Ising-like model taking into account short- (J), long-range (G) interaction as well as the interaction (L) between the surface molecules and the surroundings. Using a new algorithm, detailed in this contribution, to calculate the density of states for each macro-state, we have obtained a three-state thermal behaviour for some sets of parameters. We analyse the role of these different parameters, as well as the number of 1D SCO molecules, in the monitoring of this particular behaviour.
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https://hal-insu.archives-ouvertes.fr/insu-01576549
Contributor : Catherine Cardon <>
Submitted on : Wednesday, August 23, 2017 - 1:48:33 PM
Last modification on : Wednesday, May 15, 2019 - 3:44:48 AM

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Salah Eddine Allal, Camille Harlé, Devan Sohier, Thomas Dufaud, Pierre-Richard Dahoo, et al.. Three stable states simulated for 1D Spin-Crossover Nanoparticles using the Ising-Like model. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2017, 2017 (36), pp.4196-4201. ⟨10.1002/ejic.201700598⟩. ⟨insu-01576549⟩

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