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Structural properties of silver iodide and copper iodide

100%
Baghmar D., Gaur N., Gupta D., Singh S.
Open Physics
|
2008
|
vol. 6
|
issue 3
445-449
EN
The structural changes within the Silver iodide (AgI) and Copper iodide (CuI) induced by pressure have been investigated using an effective interaction potential. CuI and AgI in their parent zinc blende (ZnS) to rock salt (NaCl) through an intermediate structure have been reported. The calculated values for the phase transition pressures and associate volume collapses are generally in good agreement with measured data.
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Structural and elastic properties of barium chalcogenides (BaX, X=O, Se, Te) under high pressure

88%
Bhardwaj P., Singh S., Gaur N.
Open Physics
|
2008
|
vol. 6
|
issue 2
223-229
EN
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.
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