no code implementations • 21 Dec 2020 • Nicholas A. Pike, Antoine Dewandre, François Chaltin, Laura Garcia, Salvatore Pillitteri, Thomas Ratz, Matthieu J. Verstraete
Interest in layered two dimensional materials, particularly stacked heterostructures of transition metal dichalcogenides, has led to the need for a better understanding of the structural and electronic changes induced by stacking.
Materials Science
1 code implementation • 3 Sep 2020 • Xu He, Nicole Helbig, Matthieu J. Verstraete, Eric Bousquet
We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii-Moriya interactions, between atoms of magnetic crystals from the results of density functional calculations.
Materials Science
