Title
Monte Carlo entropic sampling applied to spin crossover solids: The squareness of the thermal hysteresis loop
Date Issued
15 July 2003
Access level
metadata only access
Resource Type
conference paper
Author(s)
Université de Versailles
Publisher(s)
Elsevier Ltd
Abstract
The Monte Carlo entropic sampling method previously presented in [I. Shteto, J. Linares, F. Varret, Phys. Rev. E 56 (1997) 5128] is adapted here to an Ising-like system with short- and long-range interactions. Such model is suited to spin crossover solids [J. Linares, H. Spiering, F. Varret, Eur. J. Phys. B 10 (1999) 271; K. Boukheddaden, J. Linares, H. Spiering, F. Varret, Eur. Phys. J. B 15 (2000) 317] where the long interaction is due to elastic coupling mediated by the lattice, while the short-range interaction originates from the bonding between the spin crossover units [J. Linares, H. Spiering, F. Varret, Eur. J. Phys. B 10 (1999) 271]. Taking into account the different degeneracies gHS for high-spin (HS) and gLS for low-spin (LS) states, the Ising Hamiltonian associated with fictitious spins is written: H = -h ∑ σi - J ∑ σiσj with h = -Δ/2+kBT ln(gHS/gLS/2+G〈σ〉 where J and G are the short- and long-range interactions, respectively, and A the energy gap of ligand field such that the LS state is the ground state. The numerical method has been tested successfully by comparison to the exact solution for a 1D system: [Fe(Htrz)2(trz)](BF4)2 [J. Linares, H. Spiering, F. Varret, Eur. J. Phys. B 10 (1999) 271; J. Krober, J.P. Audière, R. Claude, O. Kahn, J. Hassnoot, F. Grolière, C. Jay, A. Bousseksou, J. Linares, F. Varret, A. Gonthier-Vassal, Chem. Mater. 6 (1994) 1404]. We describe here the results obtained for 2D systems, and show that the squareness of the thermal hystersis loop, associated with the spin-transition, can be correlated to the strength of short-range interactions. © 2003 Elsevier Science Ltd. All rights reserved.
Start page
2453
End page
2456
Volume
22
Issue
14-17
Language
English
OCDE Knowledge area
Óptica
Subjects
Scopus EID
2-s2.0-0041870556
Source
Polyhedron
ISSN of the container
02775387
Sources of information:
Directorio de Producción Científica
Scopus