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

Authors: S. Botti, J.A. Flores-Livas, M. Amsler, S. Goedecker, and M.A.L. Marques

Ref.: Phys. Rev. B (Rapid Comm.) 86, 121204(R) (2012)

Abstract: 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 sp3 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 0.8-1.5eV, and to display absorption coefficients comparable with those of chalcopyrites used in thin-film record solar cells.

Citations: 107 (Google scholar)

DOI: 10.1103/PhysRevB.86.121204

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Bibtex:

@article{Botti_2012,
	doi = {10.1103/physrevb.86.121204},
	url = {https://doi.org/10.1103%2Fphysrevb.86.121204},
	year = 2012,
	month = {sep},
	publisher = {American Physical Society ({APS})},
	volume = {86},
	number = {12},
	author = {Silvana Botti and Jos{\'{e}} A. Flores-Livas and Maximilian Amsler and Stefan Goedecker and Miguel A. L. Marques},
	title = {Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications},
	journal = {Physical Review B}
}