THEORETICAL ANALYSIS OF THE STRUCTURAL PHASE TRANSFORMATION B1→B2 OF BASE UNDER HIGH PRESSURE

Arvind Jain1, Netram Kaurav, Sanjay Shah

Abstract


Abstract:- We report a phenomenological model based calculation of pressure-induced structural phase transition of BaSe compound. Gibb’s free energy is obtained as a function of pressure by applying an effective interionic interaction potential, which includes the long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. From the present study, we predict a structural phase transition from NaCl structure (B1) to the CsCl structure (B2).

Keywords: Structural phase transition, high pressure.

THEORETICAL ANALYSIS OF THE STRUCTURAL PHASE TRANSFORMATION B1→B2 OF BASE UNDER HIGH PRESSURE


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References


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