Optimization of Switching Field of Molecular Spintronic Device Configurations Using Monte Carlo Simulations

Reducing switching energy in molecular devices is critical for advancing energy-efficient technologies and electronics. This study aims to identify optimal molecular configurations for minimizing switching energy and amplifying intensity using a systematic experimental and computational approach. Sixteen configurations were designed using the M-16 Taguchi Design of Experiments array, varying critical parameters such as width, height, depth, and anisotropy in the X and Y directions across four levels. These configurations were evaluated through GUI-based software simulations, focusing on magnetization behaviors. Monte Carlo (MC) simulations with the Metropolis algorithm, continuous spin, based on the Heisenberg model, were utilized to analyze the effects of parameter variations and defect interactions on molecular systems. The Taguchi method facilitated efficient parameter space exploration while minimizing experimental effort, enabling the identification of significant factors influencing switching energy. Applying the DOE analysis revealed the interactions among factors and their influence on switching energy. It identified the optimal configuration of parameters that resulted in the lowest switching fields. These findings validate the systematic design approach, demonstrating its potential to enhance device performance. The study provides a robust framework for optimizing molecular spintronics devices and advancing sustainable technologies.