An extended three body force shell model (ETSM) has been applied for the prediction of
lattice dynamics of orientationally disordered NaO2, by incorporating the effect of …

We have investigated elastic moduli c11, c12 and c44 of La0. 83Sr0. 17MnO3 in cubic
phase using Rigid Ion Model (RIM) at temperature 212K≤ T≤ 280K. The elastic moduli …

The effects of doping Al and Mn on the cohesive and thermophysical properties of MgB2
have been investigated using a Rigid Ion Model (RIM). The interatomic potential of this …

We have incorporated the translational rotational (TR) coupling effects in the framework of
three body force shell model (TSM) to develop an extended TSM (ETSM). This ETSM has …

The motivation for the present work was gained from the recent publication on phonon
dispersion curves (PDCs) of CsCN from the neutron scattering technique. We have applied …

An extended three body force shell model (ETSM), which incorporates the effects of
translational–rotational (TR) coupling, three body interactions (TBI) and anharmonicity, has …

The structural phase transformations in various phases (monoclinic, ortho I, ortho II, and
tetragonal) of zirconia (ZrO2) have been investigated using an effective interionic interaction …

An extended three-body force shell model (ETSM) has been applied to investigate the static
and dynamic properties of KCN x Cl 1− x for the composition x= 0.56 and 1.0 at 300 K. The …

The pressure induced phase transition and associated volume collapse have been
investigated in CuI using an interionic interaction potential. This interaction potential has …

The thermodynamic behavior of carbon doped MgB2 has been studied using a rigid ion
model (RIM). The model potential consists of the long-range Coulomb, the short-range …