Abstract
The optimized effective potential (OEP) method of density functional theory (DFT) has been developed for the study of the Kohn-Sham (KS) correlation potential of quasi-two-dimensional electron gases, for zero temperature and in an open configuration. The correlation energy functional has been generated by second-order perturbation theory, using the KS Hamiltonian as the unperturbed Hamiltonian. Its more important feature is that it is an implicit functional of the density, but an explicit functional of all quasi-two-dimensional electron gas (2DEG) subbands, occupied and unoccupied. Numerical results are presented for the physically relevant one-subband regime, where all electrons are in the ground-state subband. Main findings are as follows: (i) the correlation potential presents four types of contributions, with one of them predominant over the other three. This dominant contribution corresponds to a situation where all electronic transitions are within the ground-state subband; (ii) the correlation potential exhibits the correct dimensionality crossover from the quasi-two-dimensional to the strict two-dimensional regime; and (iii) in the asymptotic limit far from the two-dimensional electron gas the correlation potential is finite.
Published Version
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