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

S. Botti, J. Flores-Livas, M. Amsler, S. Goedecker, M. Marques

Physical Review B, 86, 121204(R), (2012)

DOI: 10.1103/physrevb.86.121204

Download: BibTEX

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 0.8–1.5 eV, and to display absorption coefficients comparable with those of chalcopyrites used in thin-film record solar cells.

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{"type":"article", "name":"s.botti20129", "author":"S. Botti and J. Flores-Livas and M. Amsler and S. Goedecker and M. Marques", "title":"Lowenergy silicon allotropes with strong absorption in the visible for photovoltaic applications", "journal":"Physical Review B", "volume":"86", "OPTnumber":"12", "OPTmonth":"9", "year":"2012", "OPTpages":"121204(R)", "OPTnote":"", "OPTkey":"", "DOI":"10.1103/physrevb.86.121204"}
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