@article{175, keywords = {paper}, author = {Silvana Botti and J. Flores-Livas and M. Amsler and S. Goedecker and M Marques}, title = {Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications}, abstract = {We present state-of-the-art first-principles 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 sp3 silicon networks and have a lower formation energy than other experimentally produced silicon phases. Some of these structures turned out to have quasidirect and dipole-allowed band gaps in the range 0.8\textendash1.5 eV, and to display absorption coefficients comparable with those of chalcopyrites used in thin-film record solar cells.}, year = {2012}, journal = {Phys. Rev. B (Rapid Comm.)}, volume = {86, 121204}, url = {http://link.aps.org/doi/10.1103/PhysRevB.86.121204}, doi = {10.1103/PhysRevB.86.121204}, }