Pressure Induced Structural Phase Transition and Elastic Properties of Lutetium Chalcogenides (LuX, X: S, Se and Te)

Ashvini K Sahu, Ramakant Bhardwaj, Sankar P Sanyal


We have investigated, the cohesive energies, pressure-volume relationship, phase transition pressure (Pt) and elastic constants for lutetium chalcogenides (LuX, X: S, Se, Te), using an interionic potential theory with modified ionic charge which includes Coulomb screening effect due to f-electrons.  These compounds undergo structural phase transition from NaCl (B1) to CsCl (B2) structure at high pressure (ranges from 10 to 60 GPa).  The B1 (NaCl) phase is found to be lower in energy than the B2 (CsCl) phase and more stable at zero pressure.

Keywords: Rare earth chalcogenides; high pressure; elastic properties; equations-of-state;  phase transition.

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ISSN (Paper)2224-719X ISSN (Online)2225-0638

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