Volume 19 Issue 4
Apr 2015
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MENG Chuan-Min, JI Guang-Fu, HUANG Hai-Jun. Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon[J]. Chinese Journal of High Pressure Physics, 2005, 19(4): 353-356 . doi: 10.11858/gywlxb.2005.04.012
Citation: MENG Chuan-Min, JI Guang-Fu, HUANG Hai-Jun. Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon[J]. Chinese Journal of High Pressure Physics, 2005, 19(4): 353-356 . doi: 10.11858/gywlxb.2005.04.012

Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon

doi: 10.11858/gywlxb.2005.04.012
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  • Corresponding author: MENG Chuan-Min
  • Received Date: 24 Jun 2004
  • Rev Recd Date: 17 Nov 2004
  • Publish Date: 05 Dec 2005
  • DFT-LDA method has been performed on calculations for fcc structure solid agon. The equation of state and adiabatic elastic properties of solid argon has been calculated up to 82 GPa. The results are in good agreement with the experimental data. The calculation indicates that the elastic properties and p-V relationship of solid argon can be obtained with local density approximation. If the parameters for calculation can be chosen properly, the elastic properties and p-V relationship of solid argon can be calculated exactly and save large of resource of computation at the same time.

     

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