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Exact-exchange density-functional theory for quasi-two-dimensional electron gases | | F. A. Reboredo
; C. R. Proetto
; | | Date: |
16 Nov 2002 | | Subject: | cond-mat | | Affiliation: | Centro Atomico Bariloche-Inst Balseiro, Argentina), C. R. Proetto (Centro Atomico Bariloche-Inst Balseiro, Argentina | | Abstract: | A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without approximations. When more subbands are occupied the exact-exchange potential is obtained numerically. The theory shows that, in contradiction with LDA, the exact-exchange potential exhibits discontinuities and the system suffers a zero-temperature first-order transition each time a subband is occupied. Results suggesting that the translational symmetry might be spontaneously broken at zero temperature are presented. An extension of the theory to finite temperatures allows to describe a drop in the intersubband spacing in good quantitative agreement with recent experiments. | | Source: | arXiv, cond-mat/0211344 | | Services: | Forum | Review | PDF | Favorites | |
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