Locality of the Density Matrix in Metals, Semiconductors, and Insulators

Sohrab Ismail-Beigi and T. A. Arias
Phys. Rev. Lett. 82, 2127 – Published 8 March 1999
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Abstract

We present an analytical study of the spatial decay rate γ of the one-particle density matrix ρ(r,r)exp(γ|rr|) for systems described by single-particle orbitals in periodic potentials in arbitrary dimensions. This decay reflects electronic locality in condensed matter systems and is also crucial for O(N) density functional methods. We find that γ behaves contrary to the conventional wisdom that generically γΔ in insulators and γT in metals, where Δ is the direct band gap and T is the temperature. Rather, in semiconductors γΔ, and in metals at low temperature γT.

  • Received 15 April 1998

DOI:https://doi.org/10.1103/PhysRevLett.82.2127

©1999 American Physical Society

Authors & Affiliations

Sohrab Ismail-Beigi and T. A. Arias

  • Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

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Vol. 82, Iss. 10 — 8 March 1999

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