Nature

High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory

Modern high-performance computing has allowed the simulation of crystalline materials and their properties on an unprecedented scale, allowing the construction of large computational materials ...
Nature

First-principles Dzyaloshinskii–Moriya interaction in a non-collinear framework

We have derived an expression of the Dzyaloshinskii–Moriya interaction (DMI), where all the three components of the DMI vector can be calculated independently, for a general, non-collinear magnetic ...