Electronic structure and phase stability of In-free photovoltaic semiconductors, Cu 2 ZnSnSe 4 and Cu 2 ZnSnS 4 by first-principles calculation
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[1] D. Vanderbilt,et al. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.
[2] Aron Walsh,et al. Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights , 2009 .
[3] M. Payne,et al. Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane‐wave study , 2000 .
[4] H. Katagiri. Cu2ZnSnS4 thin film solar cells , 2005 .
[5] Jackson,et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.
[6] T. Wada,et al. Evaluations of Phases and Vacancy Formation Energies in KNbO3 by First-Principles Calculation , 2005 .
[7] William H. Press,et al. Numerical recipes , 1990 .
[8] Alex Zunger,et al. Electronic structure of the ternary chalcopyrite semiconductors CuAls2, CuGaS2, CuInS2, CuAlse2, CuGaSe2, and CuInSe2 , 1983 .
[10] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[11] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.