Interatomic potentials for CaCO3 polymorphs (calcite and aragonite), fitted to elastic and vibrational data

[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 .