Intrinsic anharmonicity in equations of state and thermodynamics of solids

Journal of Physics Condensed Matter

Volumn 16, Issue 8, 2004, Pages 1351-1360

  Oganov, Artem R ^a   Dorogokupets, Peter I ^b  

^a ETH ZURICH   (Switzerland)

^b INSTITUTE OF THE EARTH S CRUST   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC EFFECTS; INTRINSIC ANHARMONICITY;

COMPUTER SIMULATION; EXTRAPOLATION; FREE ENERGY; HIGH TEMPERATURE PROPERTIES; OSCILLATORS (MECHANICAL); PERTURBATION TECHNIQUES; SPECIFIC HEAT; SPECTROSCOPIC ANALYSIS; THERMAL EXPANSION; THERMODYNAMICS; VIBRATIONS (MECHANICAL);

EQUATIONS OF STATE OF SOLIDS;

EID: 1642322849     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/16/8/018     Document Type: Article

References (17)

1. Oganov A R and Dorogokupets P I 2003 All-electron and pseudopotential study of MgO: equation of state, anharmonicity, and stability Phys. Rev. B 67 224110
2. Karki B B, Wentzcovitch R M, de Gironcoli S and Baroni S 1999 First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions Science 286 1705-7
3. Karki B B, Wentzcovitch R M, de Gironcoli S and Baroni S 2000 High- pressure lattice dynamics and thermoelasticity of MgO Phys. Rev. B 61 8793-800
4. Fiquet G, Richet P and Montagnac G 1999 High-temperature thermal expansion of lime, periclase, corundum and spinel Phys. Chem. Minerals 27 103-11
5. Zharkov V N and Kalinin V A 1971 Equations of State of Solids at High Pressures and Temperatures (New York: Consultants Bureau)
6. Landau L D and Lifshitz E M 1980 Statistical Physics part I Course of Theoretical Physics 3rd edn vol 5 (Oxford: Butterworth Heinemann)
7. Gillet P, Matas J, Guyot F and Ricard Y 1999 Thermodynamic properties of minerals at high pressures and temperatures from vibrational spectroscopic data Microscopic Properties and Processes in Minerals (NATO Science Series vol C543) ed K Wright and R Catlow (Dordrecht: Kluwer) pp 71-92
8. Wallace D C 1972 Thermodynamics of Crystals (New York: Wiley)
9. Dorogokupets P I and Oganov A R 2003 Equations of state of Cu and Ag and the revised ruby pressure scale Dokl. Earth Sci. 391A 854-7
10. Dorogokupets P I and Oganov A R 2004 Intrinsic anharmonicity in equations of state of solids Dokl. Earth Sci. at press
11. Holzapfel W B 2001 Equations of state for solids under strong compression Z. Kristallogr. 216 473-88
12. Chandler D 1987 Introduction to Modern Statistical Mechanics (New York: Oxford University Press)
13. Oganov A R 2003 unpublished
14. Inbar I and Cohen R E 1995 High pressure effects on thermal properties of MgO Geophys. Res. Lett. 2 1533-6
15. 3 perovskite Geophys. Res. Lett. 21 1659-62
16. 3 perovskite Phys. Earth Planet. Inter. 122 277-88
17. Stacey F D and Isaak D G 2003 Anharmonicity in mineral physics: a physical interpretation J. Geophys. Res. B 108 2440