Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches

TitleElectronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches
Publication TypePalaiseau Article
Acknowledgements

Nanoquanta

DOI10.1016/j.spmi.2008.12.026
Palummo, M, Iori, F, Del Sole, R, Ossicini, S
Year of Publication2009
JournalSuperlattices and Microstructures
Volume46
URLhttp://www.sciencedirect.com/science/article/B6WXB-4VF0XVB-4/2/7f7e219d9e82ffc76628315e45e91ba2
KeywordsNanowires
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: