Shape, size, pressure and matrix effects on 2D spin crossover nanomaterials studied using density of states obtained by dynamic programming

Computational Materials Science(2021)

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摘要
Pressure-dependence of the HS fraction in isothermal conditions (T = 300 K) for different lattice sizes: 3 × 3 (green left triangle), 4 × 4 (blue up triangle), 5 × 5 (black squares), 12 × 12 (red stars) obtained by numerical solution using density of states obtained by dynamic programming.
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关键词
Phase transitions,Spin crossover,Nanomaterials,Dynamic programming
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