TY - JOUR KW - paper AU - Silvana Botti AU - J. Flores-Livas AU - M. Amsler AU - S. Goedecker AU - M Marques AB - 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. BT - Phys. Rev. B (Rapid Comm.) DO - 10.1103/PhysRevB.86.121204 N2 - 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. PY - 2012 T2 - Phys. Rev. B (Rapid Comm.) TI - Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications UR - http://link.aps.org/doi/10.1103/PhysRevB.86.121204 VL - 86, 121204 ER -