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Three Stable States Simulated for 1D Spin‐Crossover Nanoparticles Using the Ising‐Like Model
Author(s) -
Allal Salah E.,
Harlé Camille,
Sohier Devan,
Dufaud Thomas,
Dahoo PierreRichard,
Linares Jorge
Publication year - 2017
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201700598
Subject(s) - spin crossover , ising model , chemistry , nanoparticle , crossover , statistical physics , work (physics) , molecule , spin (aerodynamics) , spin states , matrix (chemical analysis) , thermal , condensed matter physics , chemical physics , thermodynamics , physics , quantum mechanics , crystallography , inorganic chemistry , organic chemistry , chromatography , artificial intelligence , computer science
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.