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

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  • Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches
Author
Maurizia Palummo
Federico Iori
Rodolfo Del Sole
S. Ossicini
Keywords
Nanowires
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.

Year of Publication
2009
Journal
Superlattices and Microstructures
Volume
46
Number of Pages
234-239
ISSN Number
0749-6036
URL
http://www.sciencedirect.com/science/article/B6WXB-4VF0XVB-4/2/7f7e219d9e82ffc76628315e45e91ba2
DOI
DOI: 10.1016/j.spmi.2008.12.026
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