@article{7254df2477f244969a78742a986efeb4,
title = "First-principles calculations on MgO: Phonon theory versus mean-field potential approach",
abstract = "Various thermodynamic properties of MgO were studied using both ab initio phonon theory and the mean-field potential (MFP) approach. They include thermal pressure, thermal expansion, the 300 K equation of state, and the shock Hugoniot. It is found that the results of ab initio phonon theory and the MFP approach agree with each other, except that ab initio phonon theory gave a poor description of the thermal pressure when temperature became relatively high.",
author = "Y. Wang and Liu, {Z. K.} and Chen, {L. Q.} and L. Burakovsky and R. Ahuja",
note = "Funding Information: The work described in this paper was supported by a grant from the National Science Foundation (Grant # CES-8708834). The contin- ued research support from Dr. E. Bryan, National Science Foundation, and the assistance of Mr. S. D. Gunasekera and Mr. R. A. Ra-japakse, former graduate students of New Jersey Institute of Technology, are gratefully acknowledged. The authors also acknowledge the suggestions made by the three reviewers and the editorial board member, which significantly improved the presentation.",
year = "2006",
doi = "10.1063/1.2219081",
language = "English (US)",
volume = "100",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "2",
}