Exponential Decay Properties of Wannier Functions and Related Quantities

Lixin He and David Vanderbilt
Phys. Rev. Lett. 86, 5341 – Published 4 June 2001
PDFExport Citation

Abstract

The spatial decay properties of Wannier functions and related quantities have been investigated using analytical and numerical methods. We find that the form of the decay is a power law times an exponential, with a particular power-law exponent that is universal for each kind of quantity. In one dimension we find an exponent of 3/4 for Wannier functions, 1/2 for the density matrix and for energy matrix elements, and 1/2 or 3/2 for different constructions of nonorthonormal Wannier-like functions.

  • Received 19 January 2001

DOI:https://doi.org/10.1103/PhysRevLett.86.5341

©2001 American Physical Society

Authors & Affiliations

Lixin He and David Vanderbilt

  • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849

References (Subscription Required)

Click to Expand
Issue

Vol. 86, Iss. 23 — 4 June 2001

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×