Electronic structure of metallic Hydrogen chain: Is metallic Hydrogen- Air new fuel cell type?

One of the three problems of physics in the 21st century is metallic Hydrogen [1]. As we know, the hydrogen molecule H2 is insulated and does not exhibit metal properties. In order to achieve the properties of metallic hydrogen, we must have hydrogen under high pressure and low temperature or high temperature and ambient pressure and overcome the following limitation of the strong molecular hydrogen bonding energy (4.477 eV) and Proton repulsion energy [4]. Electrical conductivity is one of the important properties to distinguish a metal but until now the electrical conductivity of solid metallic hydrogen retains an aura of ambiguity. In this work, by choosing a chain of 50 hydrogen atoms, we change the length of the chains between 25 and 60 Å and ambient temperature by utilizing the Gaussian 03 suite of programs. We calculated 66.2, 124.17, 243.96, 489.36, 1025.64, 2274.54, 4794.88 and 12323.72 GPa for their pressure that include a wide range of phases. Then we examined the effect of pressure on thermodynamic properties, Homo-Lumo gap and density of states(DOS). We showed that with increasing pressure in the chains, the hydrogen chain properties vary from diatomic to mono-atomic and the tendency to metallization is represented by using the electrical conductivity of the system by investigating the DOS.