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Author Behringer, R. E.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS AND MATHEMATICS ♦ ATOMIC MODELS ♦ ATOMS ♦ CRYSTALS ♦ ENERGY LEVELS ♦ IONS ♦ LATTICES ♦ LITHIUM HYDRIDES ♦ METALS ♦ PRESSURE ♦ QUANTITATIVE ANALYSIS ♦ QUANTUM MECHANICS ♦ SPHERES ♦ TRANSIENTS ♦ WIGNER-SEITZ METHOD
Abstract The dependence on lattice parameter, or pressure, of the energy gap between the last filled and first empty energy band in LiH is investigated. The crystalline potential is approximated by a Wigner-Seitz atomicspheres potential, corrected to account for the effects of overlapping spheres, and the wave functions are Expanded in symmetrized plane waves. In addition the effect of varying the relative size of the lithium and hydrogen ion spheres is considered. The energy levels at the top of the filled band and the bottom of the empty band are determined at several values of the lattice parameter, using 6, 7, 8, 9, and 10 symmetrized plane waves. The problem of convergence is examined. The model predicts that transition to the metallic state should occur at a pressure of about 35 megabars. The results are discussed in light of recent experimental investigations. (auth)
ISSN 0031899X
Educational Use Research
Learning Resource Type Article
Publisher Date 1959-02-01
Publisher Department Univ. of Calif., Berkeley ♦ IBM Research Lab., Poughkeepsie, N.Y.
Journal Physical Review
Volume Number 113
Organization Univ. of Calif., Berkeley ♦ IBM Research Lab., Poughkeepsie, N.Y.


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