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Theoretical Study of High Pressure Metallic Hydrogen

Published online by Cambridge University Press:  16 February 2011

Troy W. Barbee III ,
Alberto García  and
Marvin L. Cohen
Troy W. Barbee III
Affiliation:
Department of Physics, University of California at Berkeley, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
Alberto García
Affiliation:
Department of Physics, University of California at Berkeley, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
Marvin L. Cohen
Affiliation:
Department of Physics, University of California at Berkeley, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
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Abstract

A study of the zero temperature phase transitions in hydrogen under megabar pressures using a first-principles total-energy method is presented. An anisotropic primitive hexagonal phase is found to be particularly stable relative to other monatomic phases for pressures between 4 and 8 megabars. Calculations of the vibrational frequencies show that this phase is unstable with respect to a distortion tripling the unit cell along the c-axis. Results for this distorted hexagonal phase will be presented, including a calculation of its superconducting transition temperature Tc.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 15
Copyright
Copyright © Materials Research Society 1990

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References

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