The calculations for energy-band structures and excitation energies of binary semiconductors using an all-electron screened exchange method were presented. The screen exchange method was implemented in full-potential linearized augmented plane-wave (FLAPW) method. Screen exchange method showed better performance for calculating conduction-band effective masses. The sX-FLAPW method showed improved approach for the description of fundamental band gaps, effective masses and higher-lying states.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)