Optimally localized Wannier functions for quasi one-dimensional nonperiodic insulators
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Publication:5458984
DOI10.1088/1751-8113/41/12/125202zbMATH Open1137.82338arXiv0709.3392OpenAlexW3102024502MaRDI QIDQ5458984FDOQ5458984
Authors: Gheorghe Nenciu, Horia D. Cornean, Alexandrina Nenciu 
Publication date: 24 April 2008
Published in: Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)
Abstract: It is proved that for general, not necessarily periodic quasi one dimensional systems, the band position operator corresponding to an isolated part of the energy spectrum has discrete spectrum and its eigenfunctions have the same spatial localization as the corresponding spectral projection. As a consequence, an eigenbasis of the band position operator provides a basis of optimally localized (generalized) Wannier functions for quasi one dimensional systems, thus proving the "strong conjecture" of Marzari and Vanderbilt. If the system has some translation symmetries (e.g. usual translations, screw transformations), they are "inherited" by the Wannier basis.
Full work available at URL: https://arxiv.org/abs/0709.3392
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