Local mean field approximation applied to a 3D spin crossover nanoparticles configuration: free energy analysis of the relative stability of the stationary states. Issue 1 (January 2021)

• Record Type: Journal Article
• Authors: Cazelles, C.; Linares, J.; Singh, Y.; Dahoo, P.-R.; Boukheddaden, K.
• Is Part Of: Journal of physics. Volume 1730:Issue 1(2021)
• Publication Date: 2021-01
• Subjects: Spin-crossover -- nanoparticles -- mean field approximation -- phase transition -- matrix effect; Physics -- Congresses; 530.5
• DOI: 10.1088/1742-6596/1730/1/012043
• Languages: English
• ISSNs: 1742-6588

Abstract

Abstract: The local mean field approximation is applied to an inhomogeneous 3D spin crossover (SCO) nanoparticle configuration with a special focus on its systemic effect on molecules in the bulk, at the corner, at the edge and at surface. The matrix effect at the surface is introduced through a specific interaction term, L. The partition function for each region allows the determination of the total free-energy F from which the stability of each configuration is analyzed through thermodynamic considerations.