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1
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Structural properties of silver iodide and copper iodide

100%
Baghmar D., Gaur N., Gupta D., Singh S.
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vol. 6
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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.
2
Content available remote

Structural stability of TiO and TiN under high pressure

88%
Chauhan R., Singh S., Singh R.
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vol. 6
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issue 2
277-282
EN
The high pressure phase transition and elastic behavior of Transition Metal Compounds (TiO and TiN) which crystallize in NaCl-structure have been investigated using the three body potential model (TBPM) approach. These interactions arise due to the electron-shell deformation of the overlapping ions in crystals. The TBP model consists of a long range Coulomb, three body interactions, and the short-range overlap repulsive forces operative up to the second neighboring ions. The authors of this paper estimated the values of the phase transition pressures, associated volume collapses, and elastic constants, all of which were found to be closer to available experimental data than other calculations. Thus, the TBPM approach promises to predict the phase transition pressure and pressure variations of elastic constants of Transition Metal compounds.
3
Content available remote

Phase transition in CeSe, EuSe and LaSe under high pressure

88%
Singh S., Singh R., Gour A.
Open Physics
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2007
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vol. 5
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issue 4
576-585
EN
The high pressure phase transition and elastic behavior of rare earth monoselenides (CeSe, EuSe and LaSe) which crystallize in a NaCl-structure have been investigated using the three body interaction potential (TBIP) approach. These interactions arise due to the electronshell deformation of the overlapping ions in crystals. The TBP model consists of a long range Coulomb, three body interactions and the short range overlap repulsive forces operative up to the second neighboring ions. The authors of this paper estimated the values of the phase transition pressure and the associated volume collapse to be closer than other calculations. Thus, the TBIP approach also promises to predict the phase transition pressure and pressure variations of elastic constants of lanthanide compounds.
4
Content available remote

Structural and elastic properties of barium chalcogenides (BaX, X=O, Se, Te) under high pressure

88%
Bhardwaj P., Singh S., Gaur N.
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vol. 6
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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.
5
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Mechanism and Synthesis of Yttrium Iron (Y-Fe) Alloy by Low Temperature Process Using Calcium as Reductant

75%
Ilayaraja M., John B. L., Sankaranarayan S. R., Ilayaraja M., John B. L., Sankaranarayan S. R.
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issue 4
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