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

• Authors: S. Singh , R. Chauhan , A. Gour
• Languages of publication: 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

64.70.K-; 62.20.de; 62.50.-p

Discipline

• 62.20.de: Elastic moduli
• 64.70.K-: Solid-solid transitions(see also 61.50.Ks Crystallographic aspects of phase transformations; pressure effects; 75.30.Kz and 77.80.B- for magnetic and ferroelectric transitions, respectively; for materials science aspects, see 81.30.-t)
• 62.50.-p: High-pressure effects in solids and liquids(for high pressure apparatus and techniques, see 07.35.+k; for high-pressure behavior of rocks and minerals, see 91.60.Gf; for pressure treatments, see 81.40.Vw in materials science; for effects of pressure on superconducting transition temperature, see 74.62.Fj)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 120
• Issue: 6
• Pages: 1021-1025

Dates

published

2011-12

received

2009-07-01

(unknown)

2011-08-02

Contributors

author

S. Singh

• High Pressure Research Lab, Physics Dept., Barkatullah University, Bhopal-462001, India

author

R. Chauhan

• Mittal Institute of Technology, Nabi Bagh, Bhopal-462038, India

author

A. Gour

• Govt. Polytechnic College Physics Department, HARDA, Indore Road (M.P.), India

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Identifiers

DOI

10.12693/APhysPolA.120.1021