Geometric phases and Wannier functions of Bloch electrons in 1-dimension
Materials Science
2009-11-10 v1
Abstract
We present a formal expression for Wannier functions of composite bands of 1-D Bloch electrons in terms of parallel-transported Bloch functions and their non-Abelian geometric phases. Spatial decay properties of these Wannier functions are studied in the case of simple bands of 1-D model insulator and metal. Within first-principles density functional theory, we illustrate the formalism through the construction of Wannier functions of polyethylene and polyacetylene.
Keywords
Cite
@article{arxiv.cond-mat/0401367,
title = {Geometric phases and Wannier functions of Bloch electrons in 1-dimension},
author = {Joydeep Bhattacharjee and Umesh V Waghmare},
journal= {arXiv preprint arXiv:cond-mat/0401367},
year = {2009}
}
Comments
4 pages, 4 figures