Ising model simulation of the effect of nearest neighbors on critical transition temperatures in spin crossover molecular system

Spin crossover (SCO) materials have shown great promise as the basis for a new generation of transistor technology. Spin crossover systems can be well represented by an Ising-like Hamiltonian. While previous efforts have focused on 2D lattices, 3D lattices are commonly found in spin crossover materials and have not been examined in depth. In this work, we explore the critical phase transitions of several 3D Ising lattices, including cubic, trigonal, and random lattices. The Metropolis Algorithm was used to anneal the lattices and determine the critical temperature of the phase transition. We found that as we increase the number of neighbors, the critical temperature for each type of lattice increases as well. This work can help us better understand the phase transition in SCO materials which can lead to the development of organic molecular based high sensitivity low power consumption devices.