TY - JOUR
T1 - Exact exact-exchange potential of two- and one-dimensional electron gases beyond the asymptotic limit
AU - Nazarov, Vladimir U.
N1 - Publisher Copyright:
© 2016 American Physical Society.
PY - 2016/5/23
Y1 - 2016/5/23
N2 - 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 nanoscience. 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-1, where r is the distance from the EG and kF is the Fermi radius, the potential obeys the already known asymptotic -e2/r, while at rF-1, but 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.
AB - 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 nanoscience. 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-1, where r is the distance from the EG and kF is the Fermi radius, the potential obeys the already known asymptotic -e2/r, while at rF-1, but 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.
UR - http://www.scopus.com/inward/record.url?scp=84970963465&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.93.195432
DO - 10.1103/PhysRevB.93.195432
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AN - SCOPUS:84970963465
SN - 2469-9950
VL - 93
JO - Physical Review B
JF - Physical Review B
IS - 19
M1 - 195432
ER -