Abstract
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel. 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.
Original language | American English |
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Article number | 235314 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 76 |
Issue number | 23 |
DOIs | |
State | Published - 17 Dec 2007 |
Externally published | Yes |