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arXiv · 2212.00448

Density functional theory for homogeneous two dimensional materials with magnetic fields

David Gontier·Salma Lahbabi·Abdallah Maichine
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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.

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David Gontier, Salma Lahbabi, Abdallah Maichine. 2022-12-01. Density functional theory for homogeneous two dimensional materials with magnetic fields. https://arxiv.org/abs/2212.00448

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