Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5488209 | Chinese Journal of Physics | 2017 | 11 Pages |
Abstract
The structural, elastic and thermodynamic properties of K2Te have been studied by the FP-APWÂ +Â lo method as implemented in the WIEN2k code. The exchange-correlation potential is treated by the generalized gradient approximation within the scheme of Perdew, Burke and Ernzerhof (GGA-PBE). The structural parameters are in good agreement with the available experimental and theoretical results. The Young's and shear modulus, and Poisson ratio have been calculated. The elastic constants and thermodynamic quantities under pressure and temperature are also calculated and elaborated.
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Authors
Nadjia Tayebi, Kada Bidai, Mohammed Ameri, Slamani Amel, Ibrahim Ameri, Y. Al-Douri, Dinesh Varshney,