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Pressure effects on the thermodynamic and mechanical properties of zinc-blende ZnTe compound

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Abstract

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.

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Authors and Affiliations

  1. Hanoi National University of Education, Hanoi, Vietnam

    Ha Thi-Thanh Vu

  2. Hanoi Pedagogical University No 2, Vinhphuc, Vietnam

    Hanh Thi-Minh Pham

  3. Duy Tan University, Danang, Vietnam

    Tuyen Viet Nguyen & Hieu Khac Ho

  4. VNU University of Science, Hanoi, Vietnam

    Tuyen Viet Nguyen

Authors
  1. Ha Thi-Thanh Vu
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  2. Hanh Thi-Minh Pham
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  3. Tuyen Viet Nguyen
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  4. Hieu Khac Ho
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Correspondence to Tuyen Viet Nguyen.

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Vu, H.TT., Pham, H.TM., Nguyen, T.V. et al. Pressure effects on the thermodynamic and mechanical properties of zinc-blende ZnTe compound. Eur. Phys. J. B 90, 65 (2017). https://doi.org/10.1140/epjb/e2017-70561-6

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  • DOI: https://doi.org/10.1140/epjb/e2017-70561-6

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