• Sadhna Singh

      Articles written in Pramana – Journal of Physics

    • Structural study of Novel (superhard) material: NiO

      Raja Chauhan Sadhna Singh

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      We have investigated the pressure-induced phase transition of NiO and other structural properties using three-body potential approach. NiO undergoes phase transition from B1 (rocksalt) to B2 (CsCl) structure associated with a sudden collapse in volume showing first-order phase transition. A theoretical study of high pressure phase transition and elastic behaviour in transition metal compounds using a three-body potential caused by the electron shell deformation of the overlapping ion was carried out. The phase transition pressure and other properties predicted by our model is closer to the phase transition pressure predicted by Eto et al.

    • Pressure-induced phase transition and stability of EuO and EuS with NaCl structure

      Atul Gour Sadhna Singh R K Singh M Singh

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      We have predicted the phase transition pressures and corresponding relative volume changes of EuO and EuS having NaCl-type structure under high pressure using three-body interaction potential (TBIP) approach. In addition, the conditions for relative stability in terms of modified Born criterion has been checked. Our calculated results of phase transitions, volume collapses and elastic behaviour of these compounds are found to be close to the experimental results. This shows that the inclusion of three-body interaction effects makes the present model suitable for high pressure studies.

    • Theoretical analysis of static properties of mixed ionic crystal: NH4Cl$_{1−x}$Br_{x}$

      D Rawat N K Gaur Sadhna Singh A Gour

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      In the present paper, we have investigated the static properties of the mixed ionic crystal NH4Cl$_{1−x}$Br$_{x}$ using three-body potential model (TBPM) by the application of Vegard’s law. The results for the mixed crystal counterparts are also in fair agreement with the pseudo-experimental data generated from the application of Vegard’s law. The results for the end point members ($x = 0$ and 1) are in good agreement with the experimental data. The results on compressibility, molecular force constant, infrared absorption frequencies and Debye temperature are presented probably for the first time for these mixed crystal counterparts.

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