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

Abstract

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]; ;  [1];  [2];  [3]
  1. Faculty of Electrical Engineering and Computer Science and Advanced Materials and Nanotechnology Laboratory (AMNOL), Ştefan cel Mare University, Suceava 720229 (Romania)
  2. GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France)
  3. 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
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 115; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
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

Citation Formats

Chiruta, Daniel, GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ, LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy, Jureschi, Catalin-Maricel, Rotaru, Aurelian, Linares, Jorge, and Garcia, Yann. Lattice architecture effect on the cooperativity of spin transition coordination polymers. United States: N. p., 2014. Web. doi:10.1063/1.4864035.
Chiruta, Daniel, GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ, LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy, Jureschi, Catalin-Maricel, Rotaru, Aurelian, Linares, Jorge, & Garcia, Yann. Lattice architecture effect on the cooperativity of spin transition coordination polymers. United States. https://doi.org/10.1063/1.4864035
Chiruta, Daniel, GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ, LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy, Jureschi, Catalin-Maricel, Rotaru, Aurelian, Linares, Jorge, and Garcia, Yann. 2014. "Lattice architecture effect on the cooperativity of spin transition coordination polymers". United States. https://doi.org/10.1063/1.4864035.
@article{osti_22278098,
title = {Lattice architecture effect on the cooperativity of spin transition coordination polymers},
author = {Chiruta, Daniel and GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ and LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy and Jureschi, Catalin-Maricel and Rotaru, Aurelian and Linares, Jorge and Garcia, Yann},
abstractNote = {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.},
doi = {10.1063/1.4864035},
url = {https://www.osti.gov/biblio/22278098}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 5,
volume = 115,
place = {United States},
year = {Fri Feb 07 00:00:00 EST 2014},
month = {Fri Feb 07 00:00:00 EST 2014}
}