Geometric phases and Wannier functions of Bloch electrons in 1-dimension

Details Geometric phases and Wannier functions of Bloch electrons in 1-dimension Geometric phases and Wannier functions of Bloch electrons in 1-dimension

2004-01-20

arxiv.org/abs/cond-mat/0401367v1

Physics

Condensed Matter

Materials Science

4 pages, 4 figures

Scientific paper

10.1103/PhysRevB.71.045106

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.

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