Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure - Journal of Modern Physics

JMP > Vol.4 No.2, February 2013

Journal of Modern Physics

Volume 4, Issue 2 (February 2013)

ISSN Print: 2153-1196 ISSN Online: 2153-120X

Google-based Impact Factor: 0.97 Citations

Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure ()

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Download as PDF (Size: 406KB) PP. 185-190

DOI: 10.4236/jmp.2013.42026 4,614 Downloads 7,282 Views Citations

Author(s)

Mazin S. Othman

Affiliation(s)

Department of General Science, Faculty of Education, Soran University, Soran-Erbil, Iraq.

ABSTRACT

The elastic properties of lead sulfur selenium are studied using first-principles calculations. The geometry optimized structural parameters for PbS_0.5Se_0.5 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 C_ij decrease but with different rates under increasing pressure.

KEYWORDS

PbSSe; Elastic Properties; Pressure

Share and Cite:

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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