Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2005-02-04
Physics
Condensed Matter
Other Condensed Matter
7 pages, 3 figures, uses epl.cls(included), accepted for publication in Europhysics Letters
Scientific paper
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional Theory (DFT) at zero temperature. The quasi two-dimensional electron gas (2DEG) is used as an illustrative example. The main findings are that the KS exchange potential builds a significant barrier-like structure under slight population of the second subband, and that both the asymptotic value of the KS exchange potential and the inter-subband energy jump discontinuously at the one-subband (1S) -> two-subband (2S) transition. The results obtained in this system offer new insights on open problems of semiconductors, such as the band-gap underestimation and the band-gap renormalization by photo-excited carriers.
Proetto Cesar R.
Reboredo Fernando A.
Rigamonti Serena
No associations
LandOfFree
Novel properties of the Kohn-Sham exchange potential for open systems: application to the two-dimensional electron gas does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Novel properties of the Kohn-Sham exchange potential for open systems: application to the two-dimensional electron gas, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Novel properties of the Kohn-Sham exchange potential for open systems: application to the two-dimensional electron gas will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-527893