We present here an ab-initio study, within the Density FunctionalTheory (DFT), of the formation energy of doped Silicon Nanowires(Si-NWs). While this theoretical approach is appropriate tocalculate the ground-state properties of materials, other methods,like Many-Body Perturbation Theory (MPBT) or Time DependentDensity Functional Theory (TDDFT), formally provide a correctdescription of the electronic excited states. Then, in the secondpart of this paper, we show how the many-body effects, introduced using the MBPT, modify the optical properties of the Si(100) surface.
Electronic properties and dielectric response of surfacesand nanowires of silicon from ab-initio approaches / M., Palummo; F., Iori; R., Del Sole; Ossicini, Stefano. - In: SUPERLATTICES AND MICROSTRUCTURES. - ISSN 0749-6036. - STAMPA. - 46:1-2(2009), pp. 234-239. [10.1016/j.spmi.2008.12.026]
Electronic properties and dielectric response of surfacesand nanowires of silicon from ab-initio approaches
OSSICINI, Stefano
2009
Abstract
We present here an ab-initio study, within the Density FunctionalTheory (DFT), of the formation energy of doped Silicon Nanowires(Si-NWs). While this theoretical approach is appropriate tocalculate the ground-state properties of materials, other methods,like Many-Body Perturbation Theory (MPBT) or Time DependentDensity Functional Theory (TDDFT), formally provide a correctdescription of the electronic excited states. Then, in the secondpart of this paper, we show how the many-body effects, introduced using the MBPT, modify the optical properties of the Si(100) surface.
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