Pseudopotential form factors and band structures are determined for 14 semiconductors of the diamond and zincblende structures: AlSb, CdTe, GaAs, GaP, GaSb, Ge, InAs, InP, InSb, Si, Sn, ZnS, ZnSe, and ZnTe. Experimental values of the splitting of energy levels in the crystal are used. The form factors appear to be accurate to 0.01 Ry and yield energy bands which agree with experiment to within ∼0.01 Ry near the band gap and ∼0.04 Ry over a range of 1 Ry. For some of these substances these are the first band structures to be calculated.

• Received 30 August 1965

DOI:https://doi.org/10.1103/PhysRev.141.789