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Prog. Theor. Phys. Vol. 56 No. 2 (1976) pp. 396-414

Stability of Metallic Hydrogens with Cubic Structure

Hitose Nagara, Hiroshi Miyagi and Tuto Nakamura

Department of Material Physics, Faculty of Engineering Science, Osaka University, Toyonaka 560

(Received December 18, 1975)

Abstract:

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 stabillity 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 instabillity 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.

URL : http://ptp.ipap.jp/link?PTP/56/396/
DOI : 10.1143/PTP.56.396

[ Full Text PDF : FREE ACCESS (1400K) ] Citation: Plain Text BiBTeX EndNote(RIS) RSS

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Citing Article(s) :

1. Journal of the Physical Society of Japan 57 (1988) pp. 2751-2762 :

   Structural Expansion of the Ground-State Energy of Simple Metals in the Local-Density Approximation

   Hiroshi Miyagi, Takuji Hatano and Hitose Nagara

2. Progress of Theoretical Physics Vol. 63 No. 5 (1980) pp. 1509-1527 :

   Structural Expansion for the Ground-State Energy of Simple Metals. II

   Hiroshi Miyagi, Hitose Nagara and Tuto Nakamura

3. Progress of Theoretical Physics Vol. 64 No. 3 (1980) pp. 731-746 :

   Structural Phase Transition of High-Density Hydrogen at Zero Temperature. I

   Hitose Nagara, Hiroshi Miyagi and Tuto Nakamura

4. Progress of Theoretical Physics Vol. 64 No. 3 (1980) pp. 747-757 :

   Structural Expansion for the Ground-State Energy of Simple Metals. III

   Hiroshi Miyagi and Hitose Nagara

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