3 papers
cond-mat.mtrl-sci2025
Strain and Interface Effects on Magnetocrystalline Anisotropy of MnN
Robert A. Lawrence, Matt I. J. Probert
Thin film effects on the Magnetocrystalline Anisotropy Energy (MAE) of MnN were studied using density functional theory (DFT). Initially, strain effects on bulk MnN were considered…
cond-mat.mtrl-sci2025
Surface Effects on the Magnetocrystalline Anisotropy of IrMn
Robert A. Lawrence, Matt I. J. Probert
Magnetic anisotropy is a key parameter to describe the exchange bias effect in heterostructures. In this paper, we describe explicit density functional calculations of the magnetic…
cond-mat.mtrl-sci2024
A Genetic Algorithm For Convex Hull Optimisation
Scott Donaldson, Robert A. Lawrence, Matt I. J. Probert
Computationally efficient and automated generation of convex hulls is desirable for high throughput materials discovery of thermodynamically stable multi-species crystal structures…