Ising-Like Model Hasn't Yet Said Its Last Word: Exact and Mean-Field Investigations of 2, 3 and 4-Body Interactions in 1D Ising Chain of Binuclear Spin-Crossover Solids.

Abstract

We investigate the static properties of a new class of 1D Ising-like Hamiltonian for binuclear spin-crossover materials accounting for two-, three-, and four-body short-range interactions between binuclear units of spins and . The following 2-, 3-, and 4-body , , and terms are considered, in addition to intra-binuclear interactions, such as effective ligand-field energy and exchange-like coupling. An exact treatment is carried out within the frame of the transfer matrix method, leading to a 4×4 matrix from which, we obtained the thermal evolution of the thermodynamic quantities. Several situations of model parameter values were tested, among which that of competing intra- and inter-molecular interactions, leading to the occurrence of (i) one-step spin transition, (ii) two-, three-, and four-step transitions, obtained with a reasonable number of parameters. To reproduce first-order phase transitions, we accounted for inter-chains interactions, treated in the mean-field approach. Hysteretic multi-step transitions, recalling experimental observations, are then achieved. Overall, the present model not only suggests new landscapes of interaction configurations between SCO molecules but also opens new avenues to tackle the complex behaviors often observed in the properties of SCO materials.