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Heat capacity and phonon spectra of A IIIN

Experiment and calculation

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Abstract

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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Authors and Affiliations

  1. Institute of Chemical Technology, Technická 5, 166 28, Prague, Czech Republic

    D. Sedmidubský, J. Leitner, Z. Sofer & J. Macháček

  2. Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16, Prague, Czech Republic

    P. Svoboda

Authors
  1. D. Sedmidubský
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  2. J. Leitner
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  3. P. Svoboda
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  4. Z. Sofer
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  5. J. Macháček
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Correspondence to D. Sedmidubský.

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Sedmidubský, D., Leitner, J., Svoboda, P. et al. Heat capacity and phonon spectra of A IIIN. J Therm Anal Calorim 95, 403–407 (2009). https://doi.org/10.1007/s10973-008-9246-1

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  • DOI: https://doi.org/10.1007/s10973-008-9246-1

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