THE EXTENDED-LAPW-BASED K-CENTER-DOT-P METHOD FOR COMPLEX BAND-STRUCTURE CALCULATIONS

An ab initio k.p method has been developed, which employs the basis functions of the extended linear augmented plane wave method (ELAPW). To construct the solution of the Schrodinger equation inside the muffin-tin sphere the ELAPW method uses an extended set of radial basis functions, which is shown to be responsible for the high accuracy of the ELAPW-k.p method. The k.p method provides an efficient computational scheme for the complex band structure calculations. Results on the complex band structure of Cu are presented.