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WU Na, TIAN Chun-Ling, LIU Fu-Sheng, KUANG An-Nong, YUAN Hong-Kuan, ZHENG Xing-Rong. Equation of State of Solid Neon from Quantum Calculation[J]. Chinese Journal of High Pressure Physics, 2012, 26(1): 41-47. doi: 10.11858/gywlxb.2012.01.006
Citation: WU Na, TIAN Chun-Ling, LIU Fu-Sheng, KUANG An-Nong, YUAN Hong-Kuan, ZHENG Xing-Rong. Equation of State of Solid Neon from Quantum Calculation[J]. Chinese Journal of High Pressure Physics, 2012, 26(1): 41-47. doi: 10.11858/gywlxb.2012.01.006

Equation of State of Solid Neon from Quantum Calculation

doi: 10.11858/gywlxb.2012.01.006
  • Received Date: 20 Aug 2010
  • Rev Recd Date: 30 Mar 2011
  • Publish Date: 15 Feb 2012
  • The interaction energy for fcc-neon-crystals at high pressure is calculated by Hartree-Fock method and the atomic cluster theory. The two- and three-body contributions to the static energy are also studied. Incorporating the influence of the zero-point vibration, the equations of state of fcc neon are calculated and compared with the available experimental 300 K isotherm up to the pressure of 208 GPa. It demonstrates that the calculated isotherm is in good agreement with measurements at pressures above 30 GPa. Compared with the recent predictions, the calculated results systematically improve the 300 K isotherm by 3%-5% between 100 and 210 GPa, and imply more static energy-volume relation at high pressure.

     

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