Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches
Title | Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches |
Publication Type | Palaiseau Article |
Acknowledgements | Nanoquanta |
DOI | 10.1016/j.spmi.2008.12.026 |
Palummo, M, Iori, F, Del Sole, R, Ossicini, S | |
Year of Publication | 2009 |
Journal | Superlattices and Microstructures |
Volume | 46 |
URL | http://www.sciencedirect.com/science/article/B6WXB-4VF0XVB-4/2/7f7e219d9e82ffc76628315e45e91ba2 |
Keywords | Nanowires |
Pagination | 234 - 239 |
Abstract | We present here an ab-initio study, within the Density Functional Theory (DFT), of the formation energy of doped Silicon Nanowires (Si-NWs). While this theoretical approach is appropriate to calculate the ground-state properties of materials, other methods, like Many-Body Perturbation Theory (MPBT) or Time Dependent Density Functional Theory (TDDFT), formally provide a correct description of the electronic excited states. Then, in the second part of this paper, we show how the many-body effects, introduced using the MBPT, modify the optical properties of the Si(100) surface. |
Full Text |
Biblio Keywords: