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Prog. Theor. Phys. Vol. 64 No. 3 (1980) pp. 731-746

[ Full Text PDF : FREE ACCESS (1211K) ]

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

Hitose Nagara, Hiroshi Miyagi and Tuto Nakamura

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

(Received March 24, 1980)

Abstract:

In the intermediate regime of high- and low-density limits, the stable phase of atomic hydrogen is looked for among cubic structures of several atoms in a unit cell, following guiding principles based on the structural expansion for the ground-state energy. The lowest phase thus found is a filamentary monomer structure R3c, which transforms into a dimer structure, R3m, at rs=1.54. To the above transition, being of second order, are crucial the fourth-order terms in the structural expansion. Effect of the electron correlation is taken into account properly. The transition pressure is estimated to be 0.93 Mbar in the fourth-order stage. In a dimer the proton distance approaches nearly the free-molecule value with decreasing density. The nature of transition is discussed from various sides, with a detailed study on the rutile structure as a low-density phase.


URL : http://ptp.ipap.jp/link?PTP/64/731/
DOI : 10.1143/PTP.64.731

[ Full Text PDF : FREE ACCESS (1211K) ] Citation:

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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. 64 No. 3 (1980) pp. 747-757 :
    Structural Expansion for the Ground-State Energy of Simple Metals. III
    Hiroshi Miyagi and Hitose Nagara
  3. Progress of Theoretical Physics Vol. 68 No. 3 (1982) pp. 781-794 :
    Exchange-Correlation Effects on the Higher-Order Polarizations of an Electron Gas
    Kuniyoshi Ebina, Hitose Nagara and Hiroshi Miyagi
  4. Progress of Theoretical Physics Vol. 69 No. 6 (1983) pp. 1686-1703 :
    Culster Expansion for the Thermodynamic Potential of Simple Metals
    Kuniyoshi Ebina

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