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Title: Role of open boundary conditions on the hysteretic behaviour of one-dimensional spin crossover nanoparticles

In order to explain clearly the role of the open boundary conditions (OBCs) on phase transition in one dimensional system, we consider an Ising model with both short-range (J) and long-range (G) interactions, which has allowed us to study the cooperative nature of spin-crossover (SCO) materials at the nanometer scale. At this end, we developed a transfer-matrix method for one-dimensional (1D) SCO system with free boundary conditions, and we give numerical evidences for how the thermal spin transition curves vary as a function of the physical parameters (J, G) or an applied pressure. Moreover for OBCs case, we have derived the bulk, surface and finite-size contributions to the free energy and we have investigated the variation of these energies as function of J and system size. We have found that the surface free energy behaves like J〈σ〉{sup 2}, where 〈σ〉 is the average magnetization per site. Since the properties of the nanometric scale are dramatically influenced by the system's size (N), our analytical outcomes for the size dependence represent a step to achieve new characteristic of the future devices and also a way to find various novel properties which are absent in the bulk materials.
Authors:
 [1] ;  [2] ; ;  [1] ;  [3] ;  [4]
  1. GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France)
  2. (Romania)
  3. Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-Ku, Tokyo (Japan)
  4. (Japan)
Publication Date:
OSTI Identifier:
22304417
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; BOUNDARY CONDITIONS; EQUIPMENT; FREE ENERGY; INTERACTIONS; ISING MODEL; MAGNETIZATION; NANOPARTICLES; NANOSTRUCTURES; ONE-DIMENSIONAL CALCULATIONS; PHASE TRANSFORMATIONS; SPIN; SURFACES; TRANSFER MATRIX METHOD