Journal of Thermal Analysis and Calorimetry
Volume/Issue:
Volume 95: Issue 2
Heat capacity and phonon spectra of AIIIN
Experiment and calculation
Authors:
D. Sedmidubský Institute of Chemical Technology Technická 5 166 28 Prague Czech Republic

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J. Leitner Institute of Chemical Technology Technická 5 166 28 Prague Czech Republic

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

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Z. Sofer Institute of Chemical Technology Technická 5 166 28 Prague Czech Republic

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J. Macháček Institute of Chemical Technology Technická 5 166 28 Prague Czech Republic

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Pages:
403–407
Online Publication Date:
12 Mar 2009
Publication Date:
01 Feb 2009
Article Category:
Research Article
DOI:
https://doi.org/10.1007/s10973-008-9246-1
Keywords:
ab-initio calculations; entropy; heat capacity; nitride semiconductors; phonon; spectra
Restricted access

Abstract  

The low temperature heat capacities of three AIIInitrides, AIII=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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Cover Journal of Thermal Analysis and Calorimetry
Journal of Thermal Analysis and Calorimetry
Print ISSN:
1388-6150
Online ISSN:
1572-8943

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation		 1969
Volumes
per Year		 1
Issues
per Year		 24
Founder Akadémiai Kiadó
Founder's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher		 Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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