Simplified approach for atomistic modeling of magnetic nanostructures by scaling the lattice constant
Phys. Rev. B 113, 224415 – Published 4 June, 2026
DOI: https://doi.org/10.1103/9cc7-y7cy
Abstract
Computational simulations are an important tool for understanding the magnetic properties of nanostructures that complement both experimental and analytical techniques. Among the different numerical techniques, micromagnetism offers tools for large systems; however, it presents difficulties when dealing with finite temperature and disorder at the atomic scale. Conversely, discrete-scale models, such as Monte Carlo, despite allowing temperature and disorder to be considered, are often computationally prohibitive. A promising solution is the scaling method that reduces the computational cost by simulating a smaller equivalent system with rescaled interactions. Traditional scaling of the exchange constant introduces complexities when handling temperature, external fields, and certain energy contributions, such as the Dzyaloshinskii-Moriya interaction (DMI). Therefore, in this paper, we revisit the scaling technique from a different perspective, proposing a change in the lattice constant instead of the exchange parameter. This approach offers simpler parametrization, naturally incorporates the DMI, and avoids the still unclear scaling of temperature and external fields. Our approach aims to provide a simpler and more robust tool for investigating a wide range of phenomena in nanostructured magnetic systems, including antiferromagnetic and complex interactions.
