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Construction of Real-Valued Localized Composite Wannier Functions for Insulators

TitleConstruction of Real-Valued Localized Composite Wannier Functions for Insulators
Publication TypeJournal Article
Year of Publication2016
AuthorsFiorenza, D, Monaco, D, Panati, G
JournalAnnales Henri Poincaré
Volume17
Pagination63–97
Date PublishedJan
ISSN1424-0661
Abstract

We consider a real periodic Schrödinger operator and a physically relevant family of $m \geq 1$ Bloch bands, separated by a gap from the rest of the spectrum, and we investigate the localization properties of the corresponding composite Wannier functions. To this aim, we show that in dimension $d\leq 3$, there exists a global frame consisting of smooth quasi-Bloch functions which are both periodic and time-reversal symmetric. Aiming to applications in computational physics, we provide a constructive algorithm to obtain such a Bloch frame. The construction yields the existence of a basis of composite Wannier functions which are real-valued and almost-exponentially localized. The proof of the main result exploits only the fundamental symmetries of the projector on the relevant bands, allowing applications, beyond the model specified above, to a broad range of gapped periodic quantum systems with a time-reversal symmetry of bosonic type.

URLhttps://doi.org/10.1007/s00023-015-0400-6
DOI10.1007/s00023-015-0400-6

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