Equation of State and Electronic Transfer for Al, Cu, Pb and Ta under Ultrahigh Pressures

The electronic structures of the elemental metal Al, Cu, Pb and Ta have been studied in terms of the Augmented Spherical Wave method. The equation of states (T=0) of the metals from the first principle calculations are in good accord with the experiments. The pressure-induced transferences of electrons between s, p and d orbital are discussed quantitatively within the compression range of V0/V=1.0~5.0. In transition metal (Ta) the transference is much pronounced because the s and p bands shift with respect to d band, while other three metals show fairly small transference because only the degree of hybridization changes for those states near Fermi level.