| Автор | S. Rigamonti |
| Автор | C. R. Proetto |
| Автор | F. A. Reboredo |
| Дата выпуска | 2005-04-01 |
| dc.description | 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 into open problems of semiconductors, such as the band-gap underestimation and the band-gap renormalization by photo-excited carriers. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Копирайт | 2005 EDP Sciences |
| Название | Novel properties of the Kohn-Sham exchange potential for open systems: Application to the two-dimensional electron gas |
| Тип | lett |
| DOI | 10.1209/epl/i2004-10462-4 |
| Electronic ISSN | 1286-4854 |
| Print ISSN | 0295-5075 |
| Журнал | EPL (Europhysics Letters) |
| Том | 70 |
| Первая страница | 116 |
| Последняя страница | 122 |
| Выпуск | 1 |
