Local density functional study of Hg-based high Tc superconductors

As an application of the high performance CRAY supercomputers, we presented the results of our total energy study on the electronic structure and lattice dynamic properties of high T_c Hg-Ba-Cu-O superconductors. For the calculations, we employed the self consistent FLAPW method under the density functional formalism within the local density approximation. The excellent agreement of our calculated results with experiments on the phonon frequencies of Hg based high T_c superconductors has demonstrated that the LDA FLAPW method provides an accurate description of total energies of the high T_c Cu-oxide superconductors