الفهرس | Only 14 pages are availabe for public view |
Abstract Energy bands of hexagonal close-packed beryllium were calculated using an approximate method based on Shaw’s optimized model potential. At a first step a non-local but energy-independent potential was used in the band structure calculation, which was carried out three times for the three available sets of model potential parameters. The energy-dependence of the potential was then added in an approximate way as a first order perturbation. Fermi energy and hence occupieti band width were also calculated in both cases. The energy dependence of Shaw’s model potential causes an increase of the band width. Our results were compared with available theoretical and experimental ones. They show very good agreement with experimentally estimated values. The energy bands are sensitive to changes in the effective charge which can be used as a parameter in the band structure calculation. The present method proves to be fast and reliable. |