1203.5669 (Silvana Botti et al.)

Low-energy silicon allotropes with strong absorption in the visible for
photovoltaic applications    [PDF]

Silvana Botti, José A. Flores-Livas, Maximilian Amsler, Stefan Goedecker, Miguel A. L. Marques

We present state-of-the-art first-principle calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-film solar cells. These new phases consist of distorted sp$^3$ silicon networks and have a lower formation energy than other experimentally produced silicon phases. Some of these structures turned out to have quasi-direct and dipole-allowed band gaps in the range 0.8--1.5\,eV, and to display absorption coefficients comparable with those of chalcopyrites used in thin-film record solar cells.

View original: http://arxiv.org/abs/1203.5669