Magnetochemistry (Jun 2024)

Nonequivalent Antiferromagnetically Coupled Sublattices Induce Two-Step Spin-Crossover Transitions: Equilibrium and Nonequilibrium Aspects

  • Valon Veliu,
  • Orhan Yalçın,
  • Songül Özüm,
  • Rıza Erdem

DOI
https://doi.org/10.3390/magnetochemistry10060042
Journal volume & issue
Vol. 10, no. 6
p. 42

Abstract

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As a continuation to the previously published work (Yalçın et al. (2022)), we investigate the equilibrium and nonequilibrium properties of the spin-crossover systems, with a specific focus on the nonequivalent sublattice, and compare these properties with those of the equivalent sublattices. We used the lowest approximation of the cluster variation method (LACVM) to derive the static equations for the order parameters of the two sublattices and determine high-spin fraction in relation to temperature and external magnetic field in a spin-crossover system. At a low temperature, the transition from stable high-spin (HS) state where nHS=1 occurs in the plateau region, where nHS=0.5 for nonequivalent sublattices. The order parameters for non-equivalent sublattices exhibit different states at the transition temperature. Also, we study the nonequilibrium properties of the order parameters and high-spin fraction using the path probability method (PPM). With the current model, we obtain and analyze the relaxation curves for the order parameters Sa, Sb, and high-spin fraction. These curves demonstrate the existence of bistability at low temperatures. At the end of this study, we present the flow diagram that shows the order parameters for different temperature values. The diagram exhibits states that are stable, metastable, and unstable.

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