Abstract
We present a calculation of the phonon spectra and of the martensitic transition temperature for the bcc»hcp transformation in Li−Mg alloys. The treatment is based ona. pseudopotential-derived interatomic forces,b. a cluster relaxation technique for determining the static distortions of the mean crystal lattice in a substitutional alloy, andc. a recursion method for calculating the spectral functions and vibrational densities of state. We report that the observed variation of the martensitic temperature with concentration results from a delicate interplay of electronic and vibrational effects.
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This work was supported by the Jubiläumsfonds der Österreichischen Nationalbank under project no. 2141
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Punz, G., Hafner, J. Phonons and martensitic phase transitions in disordered Li−Mg alloys. Z. Physik B - Condensed Matter 65, 465–475 (1987). https://doi.org/10.1007/BF01303768
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DOI: https://doi.org/10.1007/BF01303768