The electronic bandstructure of CdO by the augmented plane wave method

An augmented plane wave calculation of the energy bands of CdO has been performed using two ionicities (0 and ± 1). Energy bands are found to be sensitive to the degree of ionicity assumed.The band structure for ionicity 0 is like that of a metal and the Fermi energy lies inside the conduction band whereas for ionicity ±1, the band structure is like that of a semiconductor and the Fermi energy lies in the Γ-Σ gap just above the valence band maxima at Σ₄.