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Title: Lattice architecture effect on the cooperativity of spin transition coordination polymers

We have investigated in the framework of the Ising-like model, by means of Monte Carlo Metropolis method with open boundary condition, the architecture effect on the cooperativity of spin transition coordination polymers. We have analyzed the influence of several physical parameters (size, pressure, and edge effects) on different lattice architectures which were in good agreement with reported experimental data. We show that the cooperativity of a spin crossover system, characterized by the same number of molecules and the same short- and long-range interaction parameters, is progressively enhanced when going from a 1D chain to a 1D ladder type lattice and to a 2D square lattice.
Authors:
 [1] ;  [2] ;  [3] ; ;  [1] ;  [4] ;  [5]
  1. Faculty of Electrical Engineering and Computer Science and Advanced Materials and Nanotechnology Laboratory (AMNOL), Ştefan cel Mare University, Suceava 720229 (Romania)
  2. (UMR 8635), 78035 Versailles Cedex (France)
  3. (France)
  4. GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France)
  5. Institute of Condensed Matter and Nanosciences, Molecules, Solids and Reactivity (IMCN/MOST), Université Catholique de Louvain, Place L. Pasteur, 1, 1348 Louvain-la-Neuve (Belgium)
Publication Date:
OSTI Identifier:
22278098
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BOUNDARY CONDITIONS; INTERACTION RANGE; ISING MODEL; MOLECULES; MONTE CARLO METHOD; POLYMERS; PRESSURE DEPENDENCE; SPIN; TETRAGONAL LATTICES