Moire Lattices

We focus on studying the Hall physics of twisted bilayer Tungsten Telluride (WTe2) at small twist angles ranging from 12 degrees to 5 degrees using large-scale finite-element based pseudopotential DFT calculations (DFT-FE). The problem at hand involves heavier elements and to this end, noncollinear magnetism and spin-orbit coupling effects are crucial to accurately model the relevant physics within DFT. In this regard, the HPC centric finite-element based computational methods extending the current DFT-FE framework to incorporate non-collinear magnetism and spin-orbit coupling effects have been recently developed within the framework of norm-conserving pseudopotentials. Our goal here is to compute the anomalous Hall conductivity (AHC) using the Berry curvature and the nonlinear Hall coefficient (NHC) using the Berry curvature dipole as a function of twist angle.