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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 534Theoretical Investigations on Elastic and...

Theoretical Investigations on Elastic and Thermodynamic Properties of CdTe

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Abstract:

The elastic and thermodynamic properties of CdTe are studied under a pressure up to 8GPa and at a temperature range of 0~900K, by density functional theory as well as quasi-harmonic Debye model. The calculated bulk modulus B and its derivative B' are consistent with the values fitted according to Debye model, which confirms the applicability of Debye model to CdTe. Heat capacity Cv , Grüneisen parameter and thermal expansion coefficient decrease with pressure, but increase with temperature. It is an opposite case for Debye temperature . The results may be instructive for CdTe to be applied in extreme conditions.

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Advanced Research on Material Science and Environmental Science

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Periodical:

Advanced Materials Research (Volume 534)

Pages:

192-196

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.534.192

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Online since:

June 2012

Authors:

Yu Hong Huang, Wan Qi Jie, Gang Qiang Zha

Keywords:

CdTe, Elastic Property, First-Principle, Quasi-Harmonic Debye Model, Thermodynamic Properties

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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