Interatomic potentials for CaCO3 polymorphs (calcite and aragonite), fitted to elastic and vibrational data
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[1] G. W. C. Kaye,et al. Tables of Physical and Chemical Constants , 2018 .
[2] E. Salje,et al. A new interatomic potential model for calcite; applications to lattice dynamics studies, phase transition, and isotope fractionation , 1992 .
[3] M. Dove,et al. Static lattice energy minimization and lattice dynamics calculations on aluminosilicate minerals , 1991 .
[4] S. C. Parker,et al. The lattice dynamics of forsterite , 1987, Mineralogical Magazine.
[5] M. Leslie. A three-body potential model for the static simulation of defects in ionic crystals , 1985 .
[6] D. Vo Thanh,et al. Experimental study of the elasticity of single crystalline calcite under high pressure (the calcite I-calcite II transition at 14.6 Kbar) , 1984 .
[7] S. C. Nyburg,et al. The four‐center charge distribution of the carbonate ion and the lattice energies of calcite and aragonite , 1978 .
[8] A. Yamamoto,et al. Optically-active Vibrations and Elastic Constants of Calcite and Aragonite , 1974 .
[9] E. R. Cowley,et al. Lattice Dynamics of Calcite , 1973 .
[10] D. Villiers. Crystal structures of aragonite, strontianite, and witherite , 1971 .
[11] K. Hellwege,et al. Zwei-Phononen-Absorptionsspektren und Dispersion der Schwingungszweige in Kristallen der Kalkspatstruktur , 1970 .
[12] A. Ruoff,et al. Temperature Dependence of the Elastic Constants of Calcite between 160° and 300°K , 1968 .
[13] H. Kaga,et al. Third-Order Elastic Constants of Calcite , 1968 .
[14] T. C. Damen,et al. Depolarization of Raman Scattering in Calcite , 1966 .
[15] A. W. Overhauser,et al. Theory of the Dielectric Constants of Alkali Halide Crystals , 1958 .
[16] R. Hearmon,et al. The Elastic Constants of Anisotropic Materials , 1946 .
[17] S. Bhagavantam,et al. Raman effect in relation to crystal structure , 1939 .
[18] S. C. Parker,et al. The Computer Simulation of the Lattice Dynamics of Silicates , 1988 .
[19] M. Catti. Theoretical Computation of Physical Properties of Mantle Minerals , 1986 .
[20] W. Carlson. The polymorphs of CaCO3 and the aragonite-calcite transformation. , 1983 .
[21] J. Zemann,et al. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates , 1981 .
[22] J. Bates,et al. The i.r. and Raman spectra of CaCO3 (aragonite) , 1980 .
[23] E. Salje,et al. The phase diagram calcite-aragonite as derived from the crystallographic properties , 1976 .
[24] W. White. The Carbonate Minerals , 1974 .
[25] L. Couture. Étude des spectres de vibrations de monocristaux ioniques , 1947 .
[26] F. Matossi,et al. Das Ultrarote Spektrum , 1930 .