Static and dynamic properties of KCN x Cl1−x

Third Order Pressure Derivative Elastic Properties of Alkali Cyanide

“…where the first two terms represent the long range Coloumb and Three Body Interaction; the third and fourth terms are the van der Waals(vdW) interaction due to dipole-dipole(d-d) and dipole-quadrapole(d-q) attractions, the fifth term represents the HafemeisterFlygare type shortrange overlap repulsion extended up to second neighbour ions, kk' are the Pauling coefficient; and b are the range and hardness model parameters, respectively as defined earlier [22][23][24]  TR is the contributiondue to TR coupling effects [25], Where r is the nearest neighbour (nn) sepration and ro is the equilibrium nn separation. K as the crystal structure constant.…”

Influence of temperature on elastic properties of caesium cyanide

“…b and ρ are the hardness and range parameters as defined in our earlier papers [15,16], φ TR and φ an are the contributions due to the TR coupling and anharmonicity [24,25]. The hardness and range parameters are determined from the equilibrium condition:…”

“…This ETSM has earlier been successfully applied to describe the lattice dynamics of CsCN. This ETSM has also been applied to predict the lattice dynamics and the temperature dependence of the second order elastic constants (SOECs) for MCN (M=Na, K, Rb) [14][15][16][17][18][19][20] having the rocksalt structure. Currently, the temperature dependence of the elastic constants of copper halides has been studied in detail by Mouffok et al [21] in their zincblende, rocksalt and intermediate (tetragonal, SC-16) crystal structures by using the two-body potential of Buckingham type [22].…”

Thermoelastic behaviour of orientationally disordered NH4Br

“…[31]. The quadrupole electric field gradient interaction A Q and B Q and the SR repulsive interaction parameters A R and B R are calculated using their expressions [31] and the method [15][16][17][18][19][20], and their calculated values are listed in Table 2. The susceptibility χ 11 is related to C 11 and C 12 through A eff , while χ 44 is related to C 44 through B eff .…”