Accession Number : AD0642267

Title :   THE STRUCTURE OF MERCURY,

Corporate Author : CHICAGO UNIV ILL INST FOR THE STUDY OF METALS

Personal Author(s) : Weaire,D.

Report Date : 1966

Pagination or Media Count : 15

Abstract : A previous suggestion that the pseudopotential method should explain the occurrence of unusual structures for Hg is examined quantitatively by study of the variation of energy with tetragonal and rhombohedral distortion of the fcc structure. Pseudopotentials calculated from fundamentals and fitted to the Fermi surface are used. In both cases the magnitude of the tetragonal distortion which minimizes the energy agrees fairly well with that of the low temperature beta-Hg form. The fcc structure is found to be unstable with respect to rhombohedral distortions as expected, but the simple cubic structure is found to have lower energy than the alpha-Hg structure. This discrepancy can be attributed to inadequacies in the pseudopotentials, and can be rectified by a small adjustment of the potential. (Author)

Descriptors :   (*MERCURY, *CRYSTAL STRUCTURE), PHASE STUDIES, CRYSTAL LATTICES, ATOMIC ENERGY LEVELS, POTENTIAL ENERGY, TRANSITION TEMPERATURE

Subject Categories : Properties of Metals and Alloys
      Electricity and Magnetism
      Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE