ENERGY-BAND STRUCTURE OF KLISO4 SINGLE-CRYSTALS

The energy band structure and electronic properties of KLISO(4) single crystals (space symmetry group P6(3)) were investigated. Dispersion r elations in a reciprocal space for valence and conduction band energie s were calculated by means of the ab initio LCAO method. We have also performed experimental measurements of reflection spectra for the KLiS O4 system using a synchrotron light source. The experimental reflectio n spectra are in quite good agreement with our theoretical results.