Localised Wannier functions in metallic systems

DOI10.1007/S00023-019-00767-6zbMATH Open1412.35280arXiv1712.07954OpenAlexW3105331331MaRDI QIDQ1735508FDOQ1735508

Authors: Horia D. Cornean, David Gontier, Antoine Levitt, Domenico Monaco 

Publication date: 28 March 2019

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

Abstract: The existence and construction of exponentially localised Wannier functions for insulators is a well-studied problem. In comparison, the case of metallic systems has been much less explored, even though localised Wannier functions constitute an important and widely used tool for the numerical band interpolation of metallic condensed matter systems. In this paper we prove that, under generic conditions, $N$ energy bands of a metal can be exactly represented by $N+1$ Wannier functions decaying faster than any polynomial. We also show that, in general, the lack of a spectral gap does not allow for exponential decay.

Full work available at URL: https://arxiv.org/abs/1712.07954

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zbMATH Keywords

Wannier functionsmetallic systems

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Feynman integrals and graphs; applications of algebraic topology and algebraic geometry (81Q30) Statistical mechanics of metals (82D35) Differential geometric methods, including holonomy, Berry and Hannay phases, Aharonov-Bohm effect, etc. in quantum theory (81Q70)

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Cited In (9)

• Existence and computation of generalized Wannier functions for non-periodic systems in two dimensions and higher
• Electric polarization and magnetization in metals
• An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions
• Variational formulation for Wannier functions with entangled band structure
• Edge states in ordinary differential equations for dislocations
• The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
• Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
• On the generalized Wannier functions
• Electronic Transport Calculations Using Maximally-Localized Wannier Functions

Uses Software

• Wannier90

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