Article citationsMore>>
W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Physical Review, Vol. 140, No. 4A, 1965, pp. A1133-A1138.
doi:10.1103/PhysRev.140.A1133
has been cited by the following article:
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TITLE:
Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure
AUTHORS:
Mazin S. Othman
KEYWORDS:
PbSSe; Elastic Properties; Pressure
JOURNAL NAME:
Journal of Modern Physics,
Vol.4 No.2,
February
6,
2013
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.