Construction of real-valued localized composite Wannier functions for insulators

DOI10.1007/S00023-015-0400-6MaRDI QIDQ5962767zbMATH OpenOpenAlexFDO

Authors Domenico Fiorenza, Domenico Monaco, G. Panati

Publication date 23 February 2016

Published in Annales Henri Poincaré (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1408.0527

zbMATH Keywords

Bloch frameBloch statesperiodic Schrödinger operatorsWannier functions

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of solids (82D20)

Abstract: We consider a real periodic Schr"odinger operator and a physically relevant family of $mgeq1$ 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 $dleq3$ 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.

Review text

The paper provides a detailed constructive algorithm to obtain composite Wannier functions which decay faster than the inverse of any polynomial (real-valued and almost-exponentially localized). To this end, one first considers a real periodic Schrödinger operator and one shows that it exhibits some interesting properties with respect to its orthogonal projector on the Bloch states. These properties are then generalized and used as axioms to derive the main result. This generalization works mainly because it involves only the fundamental symmetries of the projector. The paper concludes with a smoothing procedure which yields a global smooth symmetric Bloch frame arbitrarily close to a given one.

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Cites work

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Cited in

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