The relativistic study of structural, electronic and phononic properties of GaBi compound at under pressures phases

Document Type : Full length research Paper

Authors

Physics department, science faculty, shahid chamran university, ahvaz, iran

Abstract

At the present work the ab-initio calculations based on pseudo-potential plane wave method was performed to fully relativistic study the structural, electronic and phononic properties of GaBi compound in the CsCl and NaCl(RS) phases. This compound has the stable Zinc-Blende phase that in this phase is semi-metal while in the under pressures in the other word in CsCl and NaCl phases has a metallic behavior. It is determined from the entropy graph in terms of Pressure that the Spin-Orbit interaction affects the order of the transition phase of this composition. By analyzing the phonon dispersion curves can be found that GaBi compound in this phases is unstable.

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References

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Journal of Research on Many-body Systems
Volume 9, Issue 2
September 2019
Pages 113-120

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History

  • Receive Date: 15 August 2017
  • Revise Date: 17 April 2019
  • Accept Date: 26 June 2019

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