A.R.H.F. Ettema

Bandstructure calculations of the hexagonal and cubic phases of K3Sb

The hexagonal and cubic phases of K3Sb are semiconductors with a band gap of less than 1 eV but optical absorption measurements indicate a band gap which is much larger. This study presents band structure calculations which explain the difference in the band gap values found from conductivity measurements and optical absorption data. Although the experimental values seem to be in conflict, the calculated band structure provides the crucial information to bring the experimental data into agreement.