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Heat capacity and phonon spectra of A IIIN

Experiment and calculation

Journal of Thermal Analysis and Calorimetry
D. Sedmidubský
J. Leitner
P. Svoboda
Z. Sofer
, and
J. Macháček


The low temperature heat capacities of three A IIInitrides, A III=Al, Ga and In, were measured by relaxation method in the temperature range 2–300 K and the corresponding entropies at the reference temperature 298.15 K were evaluated from the experimental data. The lattice heat capacity at constant volume was also assessed theoretically within harmonic crystal approximation by direct method using a combination of VASP software package to obtain the Hellmann-Feynman forces and the Phonon program to calculate the phonon spectra. The experimental data were analyzed by means of a Debye-Einstein model taking use of the calculated heat capacity and involving additionally an anharmonic contribution.

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