Density functional theory for two-dimensional homogeneous materials with magnetic fields

Abstract

This paper studies DFT models for homogeneous 2D materials in 3D space, under a constant perpendicular magnetic field. We show how to reduce the three-dimensional energy functional to a one-dimensional one, similarly as in our previous work. This is done by minimizing over states invariant under magnetic translations and that commute with the Landau operator. In the reduced model, the Pauli principle no longer appears. It is replaced by a penalization term in the energy.