Abstract

Rajni Bala Pooni, Talwinder Kaur and A. K. Srivastava*

DOI : http://dx.doi.org/10.13005/ojc/310370

In the present work, pressure-induced structural phase transition and elastic properties of monochalcogenides of neptunium (NpX = Se, Te) are investigated using potential model that includes long range Coulombic interaction, short-range repulsive interaction, nearest and next nearest neighbour interactions. The cohesive energies and bulk modulus for B1 & B2 phases along with the phase transition pressure are calculated. The calculated results of phase transition pressure, volume collapse and elastic behaviour of these compounds are found to be in close agreement to the available experimental and others theoretically calculated results.  

Phase Transition; High Pressure; Monochalcogenides; Elastic properties

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