Optical properties of Sb(Se,Te)I and photovoltaic applications

SbXI (X = Se, Te) are ferroelectric semiconductors that allow a variety of applications including optoelectronic and photovoltaic applications. An analysis of the optical properties is carried out starting from first-principles density-functional theory with orbital-dependent one-electron potentials. To go into the contributions to the optical properties more deeply, the absorption coefficients have been split into interand intra-species contributions and into atomic angular momentum contributions. The optical results are used to evaluate the efficiencies when this material is used to absorb sunlight at several sunlight concentrations and the usual radiative and the ferroelectric photovoltaic mechanisms. The results indicate their applicability in photovoltaic devices as absorbent of the solar spectrum with high conversion efficiency. (C) 2016 Elsevier B.V. All rights reserved.