Hydrogen and the Alkali Metals

摘要: On the basis of a standard density functional theory calculation using LAPW method, neglecting any zero point motion effects, we find that diamond lattice gives lowest total energy. However, calculations shown in figure below are not realized experimentally at present, since hydrogen is known to be molecular state under normal conditions. There have been numerous predictions formation metallic very high pressures with possible room temperature superconductivity [1, 2]. Our for H2 molecule bond length 0.75076 A. Two sets energy bands and densities states presented fcc equilibrium = 4.363 a.u. constant 3.2 corresponding pressure 4.7 Mbar, where predicted.