Dynamical Properties of Spin-Crossover Solids
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Date
2019
Journal Title
Journal ISSN
Volume Title
Publisher
HAL
Abstract
Spin-crossover (SCO) and Prussian blue analogs (PBAs) materials are investigated in 2D with a three-state Blume–Emery–Griffiths (BEG) model where each spin interacts with its nearest neighbors (nn) and may be either in high-spin (HS) or low-spin (LS) state. The interactions through the system lattice are temperature-dependent to account for spin-phonon interactions. The system is also in contact with an oscillating magnetic field
energy. The generated numerical results by the dynamic mean field theory (DMFT) study approach are consistent with those derived by kinetic Monte Carlo (KMC) simulations with Glauber dynamics and Arrhenius transition rates. First-order transitions with thermally induced hysteresis phenomena have been observed. Near the hysteresis loops, the model exhibits throughout relaxation curves, some fluctuations in the LS phase, strengthened by increasing temperature where this phenomenon becomes temperature- and magnetic field-dependent.
Description
Because of the needs for our companies in the field of the treatment and storage of information, transportation of artworks or other valuable objects, evaluation of the degree of alteration of materials after collisions,[1] the design of miniaturized devices with fast response is a major stake. Switchable molecular materials with thermodynamic bistability are one of the solutions to this requirement.
Keywords
2D-nucleation, dynamic mean field approach, kinetic Monte Carlo simulations, phase diagram, relaxation dynamics, spin-crossover compounds
Citation
iou Bolarinwa Ogou, Djidjoho Toussaint Oke, Félix Hontinfinde, Kamel Boukheddaden. Dynamical Properties of Spin-Crossover Solids Within the Kinetic Spin-1 BEG Model in the Presence of a Time-Dependent Magnetic Field. Advanced Theory and Simulations, Wiley, 2019, 2 (5), pp.1800192.10.1002/adts.201800192. hal-03043796