Predictions of solar radiation shielding properties of KB6 from first principles

The elastic constants, structural, electronic and optical properties of KB6 are studied using first-principles calculations. The calculated structural parameters for KB6 are consistent with previously reported experimental results. The calculated absorption spectrum shows that KB6 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 KB6 is determined. These calculations reveal that KB6 could serve as a perfect solar radiation shielding material with high visible light transmittance.