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Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure

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DOI: 10.4236/jmp.2013.42026    3,815 Downloads   5,905 Views   Citations
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ABSTRACT

The elastic properties of lead sulfur selenium are studied using first-principles calculations. The geometry optimized structural parameters for PbS0.5Se0.5 under different pressures are listed. The lattice parameter increase with increasing pressure, but enthalpy is constant. However, parameter B and Y decrease and parameter S increase with increasing pressure. The elastic constants satisfy the traditional mechanical stability conditions for these ternary mixed crystals. The elastic modulus as two functions of pressure from 0 - 10 GPa are obtained. The calculated elastic constants Cij decrease but with different rates under increasing pressure.

Conflicts of Interest

The authors declare no conflicts of interest.

Cite this paper

M. Othman, "Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure," Journal of Modern Physics, Vol. 4 No. 2, 2013, pp. 185-190. doi: 10.4236/jmp.2013.42026.

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