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Thermodynamic properties of ZnSe under pressure and with variation in temperature |
| Najm Ul Aarifeen, A Afaq |
| Center of Excellence in Solid State Physics, University of the Punjab, Lahore 54590, Pakistan |
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Abstract The thermodynamic properties of ZnSe are obtained by using quasi-harmonic Debye model embedded in Gibbs-code for pressure range 0-10 GPa and for temperature range 0-1000 K. Helmholtz free energy, internal energy, entropy, Debye temperature, and specific heat are calculated. The thermal expansion coefficient along with Grüneisen parameter are also calculated at room temperature for the pressure range. It is found that internal energy is pressure dependent at low temperature, whereas entropy and Helmholtz free energy are pressure sensitive at high temperature. At ambient conditions, the obtained results are found to be in close agreement to available theoretical and experimental data.
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Received: 15 March 2017
Revised: 06 May 2017
Accepted manuscript online:
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PACS:
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31.15.E-
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51.30.+i
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(Thermodynamic properties, equations of state)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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Corresponding Authors:
A Afaq
E-mail: aafaq.cssp@pu.edu.pk
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Cite this article:
Najm Ul Aarifeen, A Afaq Thermodynamic properties of ZnSe under pressure and with variation in temperature 2017 Chin. Phys. B 26 093105
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