Electronic structure and elastic properties of TiB2 and ZrB2

► The electronic structure and elastic properties of TiB2 and ZrB2 are investigated. ► The calculated values are found to be in good agreement with earlier investigations. ► The directional and spherically averaged Compton profiles of ZrB2 are computed. ► The experimental Compton profile of ZrB2 is measured and compared with LCAO values.