Exchange-energy functionals for finite two-dimensional systems

Abstract

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.

5 pages, 3 figures

References in corpus (4)

• Correlation energy and spin polarization in the 2D electron gas
• Two-dimensional limit of exchange-correlation energy functional approximations in density functional theory
• Pair-distribution functions of the two-dimensional electron gas
• Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories

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