Abstract
First-principles calculations using the GGA + U method are performed to study the detailed optoelectronic properties of the double perovskite oxide solar cell absorbers La2NiMnO6 (LNMO) and Eu2NiMnO6 (ENMO). In this regard the spin polarised band structure, density of states, dielectric constant, light absorption, reflection and refraction in LNMO and ENMO crystal lattice have been explored. The calculations reveal the suitable narrow band gap and large visible light absorption coefficient in LNMO and ENMO, which are extremely desired for the high photovoltaic performance. The calculated results are also compared with the related experiment and theory. In addition, a significant optical anisotropy has been observed in the monoclinic LNMO/ENMO crystal lattice.
Published Version
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