https://doi.org/10.1140/epjb/e2017-70561-6
Regular Article
Pressure effects on the thermodynamic and mechanical properties of zinc-blende ZnTe compound
1 Hanoi National University of Education, Hanoi, Vietnam
2 Hanoi Pedagogical University No 2, Vinhphuc, Vietnam
3 Duy Tan University, Danang, Vietnam
4 VNU University of Science, Hanoi, Vietnam
a
e-mail: nvtuyenhus84@gmail.com
Received: 22 September 2016
Received in final form: 28 November 2016
Published online: 10 April 2017
In this paper, the moment method in statistical mechanics has been employed to study the pressure effects on thermodynamic and mechanical properties of zinc-blende zinc telluride using many-body potential. We have derived the analytical expressions of the pressure-dependent lattice parameter, volume compression as well as mean-square displacement of zinc-blende type compound. Numerical calculations performed for ZnTe compound up to 12 GPa are found to be in good and reasonable agreement with available experimental data as well as with previous theoretical studies. These results have been used to evaluate the bulk modulus and its first pressure derivative of ZnTe. The present moment method has taken into account the quantum zero-point vibrations at low temperature and the higher-order anharmonic terms in the atomic displacements. This research shows the advantage of moment method on extensively studying thermo-mechanical properties of materials under high pressures.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2017
