Many-body effects on the electronic and optical properties of bulk GaP
|Title||Many-body effects on the electronic and optical properties of bulk GaP|
|Publication Type||Palaiseau Article|
|Author Address|| |
Pulci, O (Reprint Author), Univ Roma Tor Vergata, Dipartimento Fis, INFM, Via Ric Sci 1, I-00133 Rome, Italy. Univ Roma Tor Vergata, Dipartimento Fis, INFM, I-00133 Rome, Italy. Ecole Polytech, CNRS, Solides Irradies Lab, CEA, F-91128 Palaiseau, France.
|Pulci, O, Palummo, M, Olevano, V, Onida, G, Reining, L, Del Sole, R|
|Year of Publication||2001|
|Journal||Phys. Stat. Sol. A|
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.