We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interatomic potential approach based on a rigid ion model. We have obtained phase transition pressures 28.69 and 2.4 GPa, respectively, and are in close agreement with their corresponding experimental transition pressures 29.0 and 2.0 GPa. This approach is promising with respect to the prediction of the phase transition pressures of other alkali halides
In this work, we have considered the pressure induced NaCl (B1) to CsCl (B2) phase transition of ytt...
112-116<span style="font-size:14.0pt;line-height: 115%;font-family:" times="" new="" roman";mso-far...
Satisfactory solutions have been obtained for the phase transitions of alkali halides by employing t...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
The Born-Mayer model with four repulsive parameters has been employed for the study of the pressure ...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
AbstractStructural properties, electronic band structure, real and imaginary parts of complex dielec...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
AbstractIn the present work, the non-inverted (isothermal) type equations of state (EOS) which are b...
757-763An analysis of high pressure equations of state has been performed to determine the pressure...
Abstract Based on the inversion pair potentials, the molecular dynamics simulations were performed t...
387-397The thermoelastic properties of materials at high temperatures, specifically the thermal ex...
In this work, we have considered the pressure induced NaCl (B1) to CsCl (B2) phase transition of ytt...
112-116<span style="font-size:14.0pt;line-height: 115%;font-family:" times="" new="" roman";mso-far...
Satisfactory solutions have been obtained for the phase transitions of alkali halides by employing t...
We have predicted the phase transition pressure in some alkali halides NaCl and KCl using an interat...
The Born-Mayer model with four repulsive parameters has been employed for the study of the pressure ...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
Ions in ionic crystals are considered to exist in compressible space-filling polyhedral cells analog...
AbstractStructural properties, electronic band structure, real and imaginary parts of complex dielec...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The...
AbstractIn the present work, the non-inverted (isothermal) type equations of state (EOS) which are b...
757-763An analysis of high pressure equations of state has been performed to determine the pressure...
Abstract Based on the inversion pair potentials, the molecular dynamics simulations were performed t...
387-397The thermoelastic properties of materials at high temperatures, specifically the thermal ex...
In this work, we have considered the pressure induced NaCl (B1) to CsCl (B2) phase transition of ytt...
112-116<span style="font-size:14.0pt;line-height: 115%;font-family:" times="" new="" roman";mso-far...
Satisfactory solutions have been obtained for the phase transitions of alkali halides by employing t...