High pressure behavior of NpSe and NpTe Original Research Article

The high pressure behavior and pressure induced structural phase transition of two neptunium monochalcogenides have been investigated by using a three body potential approach. The calculated compression curves and the values of different high pressure behavior for NpSe and NpTe are presented and have been discussed and compared with the experimental values wherever available. The accuracy of the present approach in reproducing the phase transition pressure and high pressure behavior for these compounds are in general good agreement with the measured data. For NpSe and NpTe, the phase transition pressures for going from NaCl to CsCl phase have been observed at 22.4 and 14.2 GPa, respectively.