TITLE

Lattice Dynamics of MF[sub 3] Crystals (M = Al, Ga, and In)

AUTHOR(S)
Zinenko, V. I.; Zamkova, N. G.
PUB. DATE
July 2000
SOURCE
Physics of the Solid State;Jul2000, Vol. 42 Issue 7, p1348
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The phonon spectra, Born effective charges, and dielectric constants ε[sub ∞] for the ...AlF[sub 3], ...GaF[sub 3], and ...InF[sub 3] crystals (where ... is a vacancy) have been calculated in terms of the generalized Gordon-Kim method. The calculated spectra of lattice vibrations contain no imaginary vibrational frequencies. This suggests the stability of the cubic phase of these compounds but contradicts the observable structural transition from cubic to rhombohedral phase. It is assumed that such a transition in the ...AlF[sub 3], ...GaF[sub 3], and ...InF[sub 3] crystals is brought about by structural defects. The calculated spectrum of lattice vibrations of the "completely defective" crystal M...F[sub 3] (M = Al, Ga, and In) indicates a strong instability of the cubic phase. Within the mean crystal approximation, the cubic phase of M[sub x]M[sub 1-x]F[sub 3] crystals appears to be unstable at small x ≤ 0.05.
ACCESSION #
7323138

 

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