On the Locality of Physics in Metals, Semiconductors, and Insulators
Sohrab Ismail-Beigi, Tomas Arias
Abstract
We present an analytical study of the spatial decay rate γ of the one-particle density matrix ρ( r, r')(-γ| r- r'|) 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 the temperature. Rather, in semiconductors γΔ, and in metals at low temperature γ T.
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