4.6 Article

Equation of state for solid neon from quantum theory

期刊

PHYSICAL REVIEW B
卷 80, 期 6, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.064106

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anharmonic lattice modes; equations of state; high-pressure effects; neon; quantum theory

资金

  1. Royal Society of New Zealand [07-MAU-016]
  2. Education NZ

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The equation of state P(V,T) for solid neon is obtained from a quantum theoretical treatment using two- and three-body forces, and an anharmonic treatment for lattice vibrations and temperature effects within the Einstein approximation. Our results are in excellent agreement with experiment for the pressure and temperature range of up to 200 GPa and 900 K. The calculated equation of state is fitted to an analytical expression for the pressure-volume dependence P(V) of the two- and three-body terms and the Einstein frequency omega(E)(V) with high accuracy for a pressure range up to 500 GPa.

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