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• W1624213883 abstract "A theory of the phonon spectral densities of states is reported for the long-lived, metastable, crystalline alloys (GaSb${)}_{1mathrm{ensuremath{-}}x}$(${mathrm{Ge}}_{2}$${)}_{mathrm{x}}$, assuming both a zinc-blende--diamond phase-transition model of the metastable structure and an on-site substitutional model without a phase transition. Comparison of both models with the data strongly favors the phase-transition model, but not so strongly as to be absolutely compelling evidence for the model. The theory is evaluated with use of the recursion method and a rigid-ion approximation with first- and second-nearest-neighbor force constants. The evolution of the spectra with increasing x is predicted, and is considerably more complicated than that given by either a virtual crystal or a persistence approximation. Principal spectral features are associated with vibrations of various bonds. All of the major anomalies in the Raman data are explained: (i) The alloy dependence of the Ge-like LO Raman linewidth is related to the entropy per site. (ii) The discontinuity as a function of x in the Raman peak position of the Ge-like LO mode is due to the changing importance of vibrations associated with Ge--Ge and Ge--Ga bonds. (iii) The anomalous asymmetries of the GaSb-like and Ge-like LO Raman peaks are attributed to spectral features associated with Sb--Sb bonds and Ga--Ge bonds, respectively. (iv) The LO-TO splitting at k=0 is proportional to the order parameter of the phase transition and decreases from the GaSb value to zero as x increases to ${x}_{c}$ensuremath{simeq}0.3. The model lends strong but indirect support to the phase-transition model over the on-site model, because, as a function of x, the maximum Raman linewidth coincides with the maximum entropy in the phase-transition model, but not in the on-site model." @default.
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• W1624213883 date "1985-10-15" @default.
• W1624213883 modified "2023-10-14" @default.
• W1624213883 title "Densities of phonon states for (GaSb)1−x(Ge2)x" @default.
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• W1624213883 doi "https://doi.org/10.1103/physrevb.32.5312" @default.
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