Resumen de Systematic study of the structural, electronicand optical properties of silicon nanowires (8 pages)
A.J. Herrera Carbajal, A. Sánchez Castillo, J. J. Pelayo Cárdenas, M.I. Reyes Valderrama, V. Rodríguez Lugo
In this work we analyzed the structural, electronic, and optical properties of a set of silicon nanowires oriented in different directions, usingthe density functional theory. Structural optimization was performed in order to relax the atomic coordinates and cell parameters, after whichthe electronic band structure and density of states were obtained. Simultaneously, we computed the imaginary part of the dielectric functionusing the elements of the dipolar matrix. Furthermore, we related the transitions between the Van Hove singularities in the density of stateswith peaks in the absorption spectra, thus identifying relationships among them, which could be used to characterize the density of states bymeans of the absorption spectrum. The results showed that the electronic and optical properties depend on the diameter and orientation ofthe nanowires.
