Three Stable States Simulated for 1D Spin-Crossover Nanoparticles Using the Ising-Like Model

Salah Eddine Allal; C. Harlé; D. Sohier; T. Dufaud; Pierre Richard Dahoo; Jorge Linares

Three Stable States Simulated for 1D Spin-Crossover Nanoparticles Using the Ising-Like Model

Salah Eddine Allal
, C. Harlé
, D. Sohier
, T. Dufaud
, Pierre Richard Dahoo
, Jorge Linares

Université de Versailles Saint-Quentin-en-Yvelines
Pontificia Universidad Católica del Perú

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

In the present work, numerical simulations for spin-crossover 1D nanoparticles embedded in a matrix are presented and discussed in the framework of an Ising-like model that takes into account short- (J) and long-range (G) interactions as well as the interactions (L) between the surface molecules and the surroundings. For a new algorithm, detailed in this contribution, to calculate the density of states for each macro state, we obtained three-state thermal behaviour for some sets of parameters. We analyze the effects of these different parameters as well as the number of 1D SCO molecules on this particular behaviour.

Original language	Spanish
Pages (from-to)	4196-4201
Number of pages	6
Journal	European Journal of Inorganic Chemistry
Volume	2017
State	Published - 2 Oct 2017
Externally published	Yes

Cite this

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title = "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 an Ising-like model that takes into account short- (J) and long-range (G) interactions as well as the interactions (L) between the surface molecules and the surroundings. For a new algorithm, detailed in this contribution, to calculate the density of states for each macro state, we obtained three-state thermal behaviour for some sets of parameters. We analyze the effects of these different parameters as well as the number of 1D SCO molecules on this particular behaviour.",

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T1 - Three Stable States Simulated for 1D Spin-Crossover Nanoparticles Using the Ising-Like Model

AU - Allal, Salah Eddine

AU - Harlé, C.

AU - Sohier, D.

AU - Dufaud, T.

AU - Dahoo, Pierre Richard

AU - Linares, Jorge

PY - 2017/10/2

Y1 - 2017/10/2

N2 - In the present work, numerical simulations for spin-crossover 1D nanoparticles embedded in a matrix are presented and discussed in the framework of an Ising-like model that takes into account short- (J) and long-range (G) interactions as well as the interactions (L) between the surface molecules and the surroundings. For a new algorithm, detailed in this contribution, to calculate the density of states for each macro state, we obtained three-state thermal behaviour for some sets of parameters. We analyze the effects of these different parameters as well as the number of 1D SCO molecules on this particular behaviour.

AB - In the present work, numerical simulations for spin-crossover 1D nanoparticles embedded in a matrix are presented and discussed in the framework of an Ising-like model that takes into account short- (J) and long-range (G) interactions as well as the interactions (L) between the surface molecules and the surroundings. For a new algorithm, detailed in this contribution, to calculate the density of states for each macro state, we obtained three-state thermal behaviour for some sets of parameters. We analyze the effects of these different parameters as well as the number of 1D SCO molecules on this particular behaviour.

M3 - Artículo

SN - 1434-1948

VL - 2017

SP - 4196

EP - 4201

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

ER -