4.6 Article

Compactly supported Wannier functions and strictly local projectors

出版社

IOP PUBLISHING LTD
DOI: 10.1088/1751-8121/ac1167

关键词

Wannier functions; localization; tight-binding models; band projectors; strict localization; compactly supported wavefunctions

资金

  1. NSF under CAREER [DMR-1455368]
  2. Mani L Bhaumik Institute for Theoretical Physics
  3. University of California Laboratory Fees Research Program - UC Office of the President (UCOP) [LFR-20-653926]

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Wannier functions play a crucial role in understanding properties of crystalline materials, with the ability to be exponentially localized and even more compactly supported in certain cases. This paper addresses the general conditions for constructing compactly supported Wannier functions, particularly in 1D non-interacting tight-binding models. It shows that the strict locality of the projection operator is necessary and sufficient for a subspace to be spanned by a compactly supported orthogonal basis.
Wannier functions that are maximally localized help in understanding many properties of crystalline materials. In the absence of topological obstructions, they are at least exponentially localized. In some cases such as flat-band Hamiltonians, it is possible to construct Wannier functions that are even more localized, so that they are compactly supported thus having zero support outside their corresponding locations. Under what general conditions is it possible to construct compactly supported Wannier functions? We answer this question in this paper. Specifically, we show that in 1d non-interacting tight-binding models, strict locality of the projection operator is a necessary and sufficient condition for a subspace to be spanned by a compactly supported orthogonal basis, independent of lattice translation symmetry. For any strictly local projector, we provide a procedure for obtaining such a basis. For higher dimensional systems, we discuss some additional conditions under which an occupied subspace is spanned by a compactly supported orthogonal basis, and show that the corresponding projectors are topologically trivial in many cases. We also show that a projector in arbitrary dimensions is strictly local if and only if for any chosen axis, its image is spanned by hybrid Wannier functions that are compactly supported along that axis.

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