Sadhna Singh

Abstracts

3 Analysis of Structural Phase Stability of Strontium Sulphide under High Pressure

Authors: Shilpa Kapoor, Namrata Yaduvanshi, Pooja Pawar, Sadhna Singh

Abstract:

A Three Body Interaction Potential (TBIP) model is developed to study the high pressure phase transition of SrS having NaCl (B1) structure at room temperature. This model includes the long range Columbic, three body interaction forces, short range overlap forces operative up to next nearest neighbors and zero point energy effects. We have investigated the phase transition with pressure, volume collapse and second order elastic constants and found results well suited with available experimental data.

Keywords: Phase Transition, second order elastic constants, three body interaction forces, volume collapses

Procedia PDF Downloads 337
2 Pressure Induced Phase Transition and Elastic Properties of Cerium Mononitride

Authors: Namrata Yaduvanshi, Shilpa Kapoor, Pooja Pawar, Sadhna Singh

Abstract:

In the present paper, we have investigated the high-pressure structural phase transition and elastic properties of cerium mononitride. We studied theoretically the structural properties of this compound (CeN) by using the Improved Interaction Potential Model (IIPM) approach. This compound exhibits first order crystallographic phase transition from NaCl (B1) to tetragonal (BCT) phase at 37 GPa. The phase transition pressures and associated volume collapse obtained from present potential model (IIPM) show a good agreement with available theoretical data.

Keywords: Phase Transition, elastic constants, volume collapse, three body interaction

Procedia PDF Downloads 344
1 Pressure Induced Phase Transition of Semiconducting Alloy TlxGa1-xAs

Authors: Madhu Sarwan, Ritu Dubey, Sadhna Singh

Abstract:

We have investigated the structural phase transition from Zinc-Blende (ZB) to Rock-Salt (RS) structure of TlxGa1-xAs by using Interaction Potential Model (IPM). The IPM consists of Coulomb interaction, Three-Body Interaction (TBI), Van Der Wall (vdW) interaction and overlap repulsive short range interaction. The structural phase transition has been computed by using the vegard’s law. The volume collapse is also computed for this alloy. We have also investigated the second order elastic constants with composition for the alloy TlxGa1-xAs.

Keywords: Semiconductors, Phase Transition, III-V alloy, elastic moduli

Procedia PDF Downloads 356