Predictions of solar radiation shielding properties of KB6 from first principles

Abstract The elastic constants, structural, electronic and optical properties of KB 6 are studied using first-principles calculations. The calculated structural parameters for KB 6 are consistent with previously reported experimental results. The calculated absorption spectrum shows that KB 6 is a promising near-infrared absorbing material. By combining the calculated reflectivity spectra and the calculated absorption spectra, the theoretical transmittance of compacted and coated films of KB 6 is determined. These calculations reveal that KB 6 could serve as a perfect solar radiation shielding material with high visible light transmittance.