Figure15

A comparative study between Monte Carlo entropic sampling method and local mean field investigations of thermal properties of spin-crossover nanoparticles based on Ising-like model

Figure 15. Thermal dependence of the HS fraction studied with the LMFA for square-shaped particles of different sizes: 20 × 20 (blue up triangles), 50 × 50 (orange circles), and 200 × 200 (green stars). The computational parameters are: (A) JbbMCES/kB=60 K, JssMCES/kB=60 K, JbsMCES/kB=0 K, JbbLMFA/kB=36 K, JssLMFA/kB=33.33 K; (B) JbbMCES/kB=60 K, JssMCES/kB=60 K, JbsMCES/kB=60 K, JbbLMFA/kB=60 K, JssLMFA/kB=60 K. For all calculations: Δ/kB=1,300 K, G/kB=172 K, L/kB=290 K, and ln(g) = 6.01.

Chemical Synthesis
ISSN 2769-5247 (Online)

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