Abstract
We present an ab-initio study of GaP bulk as a test case to show the importance of going beyond the single particle Density Functional Theory (DFT) scheme in the calculation of excited state properties. The inclusion of many-body effects within the GW approach for the determination of electronic gaps, and of excitonic effects in the calculations of the dielectric function, is discussed. Comparison with one-particle DFT results and with experimental data are presented.
| Original language | English |
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| Pages (from-to) | 1261-1266 |
| Number of pages | 6 |
| Journal | physica status solidi (a) |
| Volume | 188 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 1 Jan 2001 |