Abstract
The expressions for second (SOE) and third order elastic (TOE) constants for rare gas solids are derived for comparative study of elastic behavior within the framework of many body potentials including the effect of pressure. The derived expressions are used to obtain the relations for pressure derivatives of bulk and shear moduli of RGS solids. The values of SOE, TOE constants and pressure derivative of bulk and shear modulus for Ne up to 100 GPa, Ar up to 75 GPa, for Kr up to 136 GPa and Xe up to 53.4 GPa pressure are computed. The results are in agreement with available experimental results. The computed results are then used to analyze the pressure up to high compression and the elastic and seismic wave velocities (P & S) in Earth’s deep interior.
Similar content being viewed by others
References
Tsuchiya T, Kawamura J. Systematics of elasticity: Ab initio study in B1-type alkaline Earth oxides? Chem Phys, 2001, 114: 10086–10093
Tsuchiya T, Kawamura J. Ab initio study of pressure effect on elastic properties of crystalline Au. Chem Phys, 2002, 116: 2121–2124
Tsuchiya T, Kawamura J. First-principles study of systematics of high-pressure elasticity in rare gas solids, Ne, Ar, Kr, and Xe. Chem Phys, 2002, 117: 5859–5865
Karasevskii A L, Holzapfel W B. Equations of state and thermodynamic properties of rare-gas solids under pressure calculated using a self-consistent statistical method. Phy Rev, 2003, 67: 224301.1–224301.9
Barsch G R. Relation between third order elastic constants of single crystal and polycrystals. J Appl Phys, 1967, 39: 3780–3793
Barsch G R, Chang Z P. Second and higher order effective elastic constants of cubic crystals under hydrostatic pressure. J Appl Phys, 1968, 39: 3276–3284
Hollinger R C, Barsch G R. Higher order elastic constants of alkaline halides. J Phys Chem Solid, 1976, 37: 845
Garg V K, Puri D S, Verma M P. On the second- and third-order elastic constants of ZnS structure solids. Phys Stat Sol, 1978, 87: 401
Thakur K P. Third-order elastic constants for 2:2 chalcide crystals possessing the sodium chloride structure. J Phys Chem Solids, 1979, 41: 465–472
Axilrod B M, Teller E. Interaction of the van der waals type between three atoms. J Chem Phys, 1943, 11: 299, doi: 10.1063/1.1723844
Lehri S, Verma M P. Phonon dispersion in rare gas solids. Phys Status Solidi, 1976, 92: 363
Lehri S, Verma M P. Third-order elastic constants and the pressure derivatives of the second-order elastic constants of rare gas solids. Phys Status Solidi, 1980, 98: 789
Singh R K, Neb D K. Debye-waller factors for alkaline Earth oxides. Phys Status Solidi, 1982, 98: 735
Singh R K, Neb D K, Sanyal S P. Effect of three-body forces on thermophysical and anharmonic properties of rare gas solid mixtures. Phys Status Solidi, 1983, 116: 389
Verma M P, Singh R K. The contribution of three-body overlap forces to the dynamical matrix of Alkali Halides. Phy Stat Sol, 1969, 33: 769
Gupta S, Goyal S C. Pressure derivatives of isothermal bulk modulus of rare gas solids. Sol Stat Commun, 2003, 126: 297–300
Gupta S, Goyal S C. Pressure derivatives of bulk and shear modulus of rare gas solids. J Phys Chem Solids, 2003, 64: 1125–1130
Gupta S, Gupta P, Goyal S C. Elastic Properties of Argon under High Pressure. Proc APFB, 2005. 05, Bangkok
Brugger K, Fritz T C. Gruneisen gamma from elastic data. Phy Rev, 1967, 157: 514
Tosi M P. Solid State Physics. Oxford: Clarendon Press, 1964. 16
Anderson O L. Equations of State of Solids for Geophysics and Cermic Science. New York: Oxford University Press, 1995
Birch F. Finite elastic strain of cubic crystals. Phys Rev, 1947, 71: 809
Gupta S, Goyal S C. Effect of temperature on elastic properties of rare gas solids. Physica B, 2004, 352: 24–35
Klein M L, Venables J A. Rare Gas Solids. New York: Academic, 1976. 2
Cocharn W. CRC Crit. Rev Solid State Sci, 1971, 2: 1
Shimizu H, Saitoh N, Sasaki S. High-pressure elastic properties of liquid and solid krypton to 8 GPa. Phys Rev B, 1998, 57: 230–233
Shimizu H, Tashiro H, Kume T, et al. High-pressure elastic properties of solid argon to 70 GPa. Phys Rev Lett, 2001, 86: 4568–4571
Tse J S, Shpakov V P, Belosludov V R. High-pressure elastic constants of solid krypton from quasiharmonic lattice-dynamics calculations. Phy Rev B, 1998, 58(5): 2365–2368
Grimsditch M, Loubeyre P, Polian A. Brillouin scattering and three-body forces in argon at high pressures. Phys Rev B, 1986, 33: 7192
Iitaka T. et al. First-principles calculation of elastic properties of solid argon at high pressures. Phys Rev B, 2001, 65: 012103
Hirschfelder J O, Curtiss C F, Bird R B. Molecular Theory of Gases and Liquids. New York: Wiley, 1954
Birch F J. The effect of pressure upon the elastic parameters of isotropic solids, according to Murnaghan’s Theory of finite strain. Appl Phys, 1938, 9: 279
Anderson O L. Equation of State of Solids for Geophysics and Ceramic Science. Oxford: Oxford University Press, 1995
Robert R W, Smith C S. Ultrasonic parameters in the born model of the sodium and potassium halides. J Phys Chem Solids, 1970, 31: 619
Sikka S K. Empirical equation of state theories at ultra-high pressures. Phys Lett A, 1989, 135: 129
Shanker J, Kumar M. Ion-dependent and crystal-independent interionic potentials. Phys Stat Sol B, 1987, 142: 325
Freund J, Ingalls R. Inverted isothermal equations of state and determination of B0, B’0 and B0. J Phys Chem Solids, 1989, 50: 263
Stacey F D, Brennan B J, Irvine R D. Finite strain theories and comparisons with seismological data. Geophys Surveys, 1981, 4: 189
Misra G, Goyal S C. Bulk modulus and its pressure derivatives of cuprous halides. Sol Stat Comm, 2005, 134(9): 637–640
Hama, Suiot K. The search for a universal equation of state correct up to very high pressures. J Phys-Condens Matt, 1996, 8: 67
Jephcoat A W. Rare gas solids in the Earth’s deep interior. Nature, 1998, 393: 355–358
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Gupta, S., Goyal, S.C. Seismic wave velocities of rare gas solids through elastic properties in Earth’s lower mantle. Sci. China Ser. D-Earth Sci. 52, 1599–1611 (2009). https://doi.org/10.1007/s11430-009-0092-1
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11430-009-0092-1