TITLE

Ionic solids at elevated temperatures and high pressures: MgF[sub 2]

AUTHOR(S)
Barrera, G.D.; Taylor, M.B.; Allan, N.L.; Barron, T.H.K.; Kantorovich, L.N.; Mackrodt, W.C.
PUB. DATE
September 1997
SOURCE
Journal of Chemical Physics;9/15/1997, Vol. 107 Issue 11, p4337
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the behavior of the ionic form of magnesium fluoride at high temperatures and pressures. Attention to the pressure-induced transition from the rutile to the fluorite structure; Use of the combination of periodic Hartree-Fock theory, quasiharmonic lattice dynamics and molecular dynamics to perform the study.
ACCESSION #
4299004

 

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