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2011 | 120 | 6 | 1021-1025
Article title

TBI Calculations of the Elastic Properties and Structural Phase Transformation in Novel Materials: Yttrium Nitride

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EN
Abstracts
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.
Keywords
EN
Contributors
author
  • High Pressure Research Lab, Physics Dept., Barkatullah University, Bhopal-462001, India
author
  • Mittal Institute of Technology, Nabi Bagh, Bhopal-462038, India
author
  • Govt. Polytechnic College Physics Department, HARDA, Indore Road (M.P.), India
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv120n607kz
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