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

Details Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

2012-03-26

arxiv.org/abs/1203.5669v1

Physics

Condensed Matter

Materials Science

submitted

Scientific paper

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.

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