Second-Order Pretransitional Effects in the High Pressure Phase Transition of Indium Nitride

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    Indium nitride, which has the hexagonal wurtzite structure, transforms to an NaCl lattice between 12 and 16 GPa. Prior to this transition nonlinearities occur in the wurtzite phase, particularly a steep decrease of the c/a axial ratio. The equation of state and nonlinear behavior of c, a, and c/a of InN under pressure have been calculated by using the first-principles total-energy pseudopotentialmethod. The calculations fit with experiment up to the phase transition pressure (15 GPa), which validates their accuracy. Pursuing the calculations in the wurtzite structure above the actual transition pressure the nonlinearities appear to be caused by a virtual second-order isostructural phase transition between two wurtzite structures with unequal internal positional parameters. Thissecond-order process is interrupted by the first-order reconstructive phase transition to the high pressure structure and remains observable only as its precursor.
    Original languageAmerican English
    Pages (from-to)469-474
    Number of pages6
    JournalPhysica Status Solidi (B) Basic Research
    StatePublished - 1996

    Bibliographical note

    Work performed by Physique des Milieux Condenses, Laboratoire Associe au CNRS and the National Renewable Energy Laboratory.

    NREL Publication Number

    • NREL/JA-451-21538


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