English

Compressed Wannier modes found from an $L_1$ regularized energy functional

Materials Science 2014-03-28 v1 Mathematical Physics math.MP Quantum Physics

Abstract

We propose a method for calculating Wannier functions of periodic solids directly from a modified variational principle for the energy, subject to the requirement that the Wannier functions are orthogonal to all their translations ("shift-orthogonality"). Localization is achieved by adding an L1L_1 regularization term to the energy functional. This approach results in "compressed" Wannier modes with compact support, where one parameter μ\mu controls the trade-off between the accuracy of the total energy and the size of the support of the Wannier modes. Efficient algorithms for shift-orthogonalization and solution of the variational minimization problem are demonstrated.

Keywords

Cite

@article{arxiv.1403.6883,
  title  = {Compressed Wannier modes found from an $L_1$ regularized energy functional},
  author = {Farzin Barekat and Ke Yin and Russel E. Caflisch and Stanley J. Osher and Rongjie Lai and Vidvuds Ozolins},
  journal= {arXiv preprint arXiv:1403.6883},
  year   = {2014}
}

Comments

5 pages, 3 figures

R2 v1 2026-06-22T03:35:34.154Z