Phys. Rev. B 41, 7883–7886 (1990)Equations of state of alkali hydrides at high pressuresReceived 6 November 1989; published in the issue dated 15 April 1990 The equations of state of the alkali hydrides LiH, NaH, and KH are calculated as a function of pressure for the B1 (NaCl and B2 (CsCl) structures using the pseudopotential and local-density approximations. Contributions of the lattice vibrations to the free energy are treated in the quasiharmonic approximation. The results are in good agreement with experiment, in particular when the vibrational effects are included. © 1990 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.41.7883
DOI:
10.1103/PhysRevB.41.7883
PACS:
62.50.+p, 63.20.-e
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