Theoretical Analysis of High Pressure Phase Transition of Samarium Bismuthide (SmBi) with a NaCl-Type Structure

Namrata Yaduvanshi; Sadhna Singh

doi:10.4028/www.scientific.net/JMNM.28.8

Paper Titles

Preface

Structural, Electronic and Elastic Properties of CeTl Intermetallic Compound
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A FP-LAPW Study of Structural and Electronic Properties of NdPd₃ Intermetallic Compound
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Theoretical Analysis of High Pressure Phase Transition of Samarium Bismuthide (SmBi) with a NaCl-Type Structure
p.8

Structural and Electronic Properties of ScPt₃ and YPt₃ Intermetallic Compounds
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Study of Structural, Elastic Properties and their Pressure Dependence in IrN Compound
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Structural and Electronic Properties of Neptunium Sulphide: An Ab Initio Study
p.23

A Theoretical Investigation on Structural and Electronic Properties of MgTl
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A Density Functional Prediction on Phase Stability, Optical, Elastic and Thermal Properties of Metallic CuZr Intermetallic Compound
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Theoretical Analysis of High Pressure Phase Transition of Samarium Bismuthide (SmBi) with a NaCl-Type Structure

Abstract:

In the present paper we have calculated the phase transition and volume collapse of Samarium Bismuthide under pressure using a three body interaction potential model which includes long range columbic interaction, three body interactions and short range overlap repulsive interaction operative up to second nearest neighbour. This compound undergoes transition from NaCl structure to body-centred tetragonal (BCT) structure (distorted CsCl-type P4/mmm). Our calculated results of phase transitions and volume collapses of SmBi are found to be close to the experimental results.

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Periodical:

Journal of Metastable and Nanocrystalline Materials (Volume 28)

Pages:

8-11

DOI:

https://doi.org/10.4028/www.scientific.net/JMNM.28.8

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Online since:

December 2016

Authors:

Namrata Yaduvanshi, Sadhna Singh

Keywords:

High Pressure, Phase Transition, Three Body Potential, Volume Collapse

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