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High pressure study of structural and elastic properties of barium chalcogenides

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Title High pressure study of structural and elastic properties of barium chalcogenides
 
Creator Arya, Balwant S
Aynyas, Mahendra
Sanyal, Sankar P
 
Subject High pressure
Elastic properties
Phase transition
 
Description 722-726
The structural and elastic properties of barium chalcogenides (BaX; X = S, Se, Te) under high pressure have been investigated by using a two body inter-ionic potential approach with modified ionic charge (Zme). The equation of states in NaCl type to CsCl type structural phases for BaX has been depicted and found that the volume collapses at the phase transition pressures. The phase transition pressures 7.2 GPa, 6.1 GPa, 5.0 GPa respectively for BaS, BaSe, and BaTe obtained by us, are in close agreement with experimental data (6.5 GPa, 6.0±0.2 GPa, 4.8±0.3 GPa). The bulk modulus, pressure derivatives, second order elastic constants (SOEC) and third order elastic constants (TOEC) at high pressure have been calculated, which show predominantly ionic nature of these compounds. The variation of second order elastic constants (C₁₁, C₄₄) with pressure has been presented.
 
Date 2008-12-15T06:42:07Z
2008-12-15T06:42:07Z
2008-10
 
Type Article
 
Identifier 0019-5596
http://hdl.handle.net/123456789/2575
 
Language en_US
 
Publisher CSIR
 
Source IJPAP Vol.46(10)) [October 2008]