Exact "exact exchange" potential of two- and one-dimensional electron gases beyond the asymptotic limit

preprint2016arXivOpen access

Abstract

The exchange-correlation potential experienced by an electron in the free space adjacent to a solid surface or to a low-dimensional system defines the fundamental image states and is generally important in surface- and nano-science. Here we determine the potential near the two- and one-dimensional electron gases (EG), doing this analytically at the level of the exact exchange of the density-functional theory (DFT). We find that, at r⊥≫kF−1r_\perp\gg k_F^{-1}, where r⊥r_\perp is the distance from the EG and kFk_F is the Fermi radius, the potential obeys the already known asymptotic −e2/r⊥-e^2/r_\perp, while at r⊥≲kF−1r_\perp \lesssim k_F^{-1}, but {\em still in vacuum}, qualitative and quantitative deviations of the exchange potential from the asymptotic law occur. The playground of the excitations to the low-lying image states falls into the latter regime, causing significant departure from the Rydberg series. In general, our analytical exchange potentials establish benchmarks for numerical approaches in the low-dimensional science, where DFT is by far the most common tool.

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