English

Construction of real-valued localized composite Wannier functions for insulators

Mathematical Physics 2016-01-13 v2 Mesoscale and Nanoscale Physics math.MP

Abstract

We consider a real periodic Schr\"odinger operator and a physically relevant family of m1m \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 d3d \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.

Keywords

Cite

@article{arxiv.1408.0527,
  title  = {Construction of real-valued localized composite Wannier functions for insulators},
  author = {Domenico Fiorenza and Domenico Monaco and Gianluca Panati},
  journal= {arXiv preprint arXiv:1408.0527},
  year   = {2016}
}

Comments

40 pages, 3 figures. Minor corrections implemented, some references added. To appear in Annales Henri Poicar\'e