Phase-Transition Studies of Germanium to 1.25 Mbar

Yogesh K. Vohra, Keith E. Brister, Serge Desgreniers, Arthur L. Ruoff, K. J. Chang, and Marvin L. Cohen
Phys. Rev. Lett. 56, 1944 – Published 5 May 1986
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Abstract

New phase transitions in Ge were observed by energy-dispersive x-ray diffraction techniques for pressures up to 125 GPa (1.25 Mbar) as follows: the β-Sn structure to the simple hexagonal (sh) phase at 75 ± 3 GPa and to the double hexagonal close-packed structure (dhcp) at 102 ± 5 GPa. These are the highest pressures for which a crystalline structure change has been directly observed by x-ray diffraction. Total-energy pseudopotential calculations predict 84 ± 10 GPa for the β-Sn to sh phase transition and 105 ± 2 GPa for sh to hcp (not dhcp) transition. The role of 3 d core electrons in increasing the transformation pressures in Ge, as compared to Si, is emphasized.

  • Received 16 December 1985

DOI:https://doi.org/10.1103/PhysRevLett.56.1944

©1986 American Physical Society

Authors & Affiliations

Yogesh K. Vohra, Keith E. Brister, Serge Desgreniers, and Arthur L. Ruoff

  • Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853

K. J. Chang and Marvin L. Cohen

  • Department of Physics, University of California, Berkeley, California 94720
  • Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

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Vol. 56, Iss. 18 — 5 May 1986

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