Stability of Metallic Hydrogens with Cubic Structure

概要

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The structure-dependent ground-state energies of metallic hydrogens are figured out accurately up to O(r_s) for cubic crystals, in critical comparison with the previous work by Brovman et al. and by Hammerberg and Ashcroft. The elastic constants are also evaluated up to the corresponding order for the purpose of looking into the mechanical stability of cubic metallic hydrogens under high pressures. It is shown that no cubic form is stable at low-pressures below P_c=59 Mbar with fcc as the high pressure phase. By taking account of the mechanical instability of sc, an upper bound to the ground-state energy of low-pressure phase is looked for. It is concluded that the binding energy at zero pressure should be higher than 1.40 eV per H; a remarkable result in comparison with the highest figure 0.86 eV of the previous ones. This entirely new result comes out with due accounts of the third-order exchange energy, which was unproperly neglected by the previous authors.
理論物理学刊行会の論文
1976-08-25