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0346823724
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note
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The theoretical values of the pressures are calculated without the ZPE. The contribution from the ZPE is shown in the sections below with the comparison of the EOS's with the experimental ones.
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-
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30
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0001096933
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As a check, we tried the calculation using the ABINIT code and the local pseudo-potential. The results with increased number of the q-points mesh for the Fourier transform, which is used to calculate the force constants from the dynamical matrix, show improvements of the long-wave phonon instability. See, X. Gonze, Phys. Rev. B 55, 10355 (1997) for the details of the calculation.
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31
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0347454497
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note
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0 in the Cs-IV structure and strong anharmonicity might be observed at much larger displacements if it exists for those forces.
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33
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0001685351
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-5/3 that the electron gas has at the high density limit but its coefficient is much larger. Of course, the parameters in their EOS have been determined in the pressure range of their experiment and the EOS finely fits their data points which lie below 80 GPa. [See, for example, Chap. 5 of Many Particle Physics (2nd ed.) by G. D. Mahan, Plenum Press, New York and London (1990) for the energy of the electron gas.]
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Evans, W.1
Silvera, I.F.2
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34
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0001685351
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Chap. 5, Plenum Press, New York and London
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-5/3 that the electron gas has at the high density limit but its coefficient is much larger. Of course, the parameters in their EOS have been determined in the pressure range of their experiment and the EOS finely fits their data points which lie below 80 GPa. [See, for example, Chap. 5 of Many Particle Physics (2nd ed.) by G. D. Mahan, Plenum Press, New York and London (1990) for the energy of the electron gas.]
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(1990)
Many Particle Physics (2nd Ed.)
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Mahan, G.D.1
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35
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0348084518
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-
note
-
We can not define the structure Cs-IV well at low densities where the local minimum for the Cs-IV disapears. See Ref. 7.
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