Thin Solid Films, Vol.520, No.15, 5011-5013, 2012
Effect of the oxygen isoelectronic substitution in Cu2ZnSnS4 and its photovoltaic application
The optoelectronic properties of Cu2ZnSnS4 and environmental considerations have attracted significant interest for photovoltaics. Using first-principles, we analyze the possible improvement of this material as a photovoltaic absorber via the isoelectronic substitution of S with O atoms. The evolution of the acceptor level is analyzed with respect to the atomic position of the nearest neighbors of the O atom. We estimate the maximum efficiency of this compound when used as a light absorber. The presence of the sub-band gap level below the conduction band could increases the solar-energy conversion with respect to the host. (C) 2012 Elsevier B.V. All rights reserved.