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- W2015196858 abstract "Abstract In the present paper we have investigated the high-pressure, structural phase transition of Barium chalcogenides (BaO, BaSe and BaTe) using a three-body interaction potential (MTBIP) approach, modified by incorporating covalency effects. Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and associated volume collapses obtained from TBIP show a reasonably good agreement with experimental data. Here, the transition pressure, NaCl-CsCl structure increases with decreasing cation-to-anion radii ratio. In addition, the elastic constants and their combinations with pressure are also reported. It is found that TBP incorporating a covalency effect may predict the phase transition pressure, the elastic constants and the pressure derivatives of other chalcogenides as well." @default.
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- W2015196858 date "2008-01-01" @default.
- W2015196858 modified "2023-09-23" @default.
- W2015196858 title "Structural and elastic properties of barium chalcogenides (BaX, X=O, Se, Te) under high pressure" @default.
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- W2015196858 doi "https://doi.org/10.2478/s11534-008-0011-7" @default.
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