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High Pressure Phase Transition and Allied Behavior οf Samarium Compounds

100%
Singh M., Gour A., Singh S.
Acta Physica Polonica A
|
2013
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vol. 123
|
issue 4
709-713
EN
A theoretical study of the phase transition of samarium monochalcogenides using three-body interaction potential model is carried out at high pressure. The three-body interaction potential includes long range Coulombic, three-body interaction forces and short range overlap repulsive forces operative up to next nearest neighbor ions. We have investigated phase transition pressures, volume collapses, elastic behavior, stability criteria and various thermo physical properties at various high pressure. The results found are well suited with available experimental data. In this paper third order elastic constants are also reported for the first time which helps in understanding the nature of interionic forces in ionic solids which paved the experimentalist to work in specific direction.
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TBI Calculations of the Elastic Properties and Structural Phase Transformation in Novel Materials: Yttrium Nitride

100%
Singh S., Chauhan R., Gour A.
Acta Physica Polonica A
|
2011
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vol. 120
|
issue 6
1021-1025
EN
We have carried out high pressure theoretical structural studies of yttrium nitride to examine the phase transition phenomena from the NaCl structure to CsCl structure by using a three-body potential model. The phase transition pressure (140 GPa) predicted by this approach is close to the phase transition pressure, predicted by others (138 GPa). Yttrium nitride is a novel and less explored material. Under high pressure yttrium nitride goes through a sudden collapse in volume showing the first order phase transition. To understand the effect of pressure we studied bulk properties, elastic constants and their combination. The pressure volume equation of state provides meaningful signatures of physical and chemical phenomena under high pressure. Moreover we have successfully checked the stability criterion for this compound.
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