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Structural and elastic properties of rare-earth nitrides at high pressure

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Title Structural and elastic properties of rare-earth nitrides at high pressure
 
Creator Rukmangad, Aditi
Aynyas, Mahendra
Sanyal, Sankar P
 
Subject High-pressure
Rare earth nitrides
Phase transition
Elastic constants
 
Description 114-118
The structural and elastic properties of rare earth nitrides (REN) [RE=Tb, Ce] under high pressure have been investigated by using two body inter ionic potential theory with modified ionic charge (Zme) to include Coulomb screening effect. The present theoretical approach has predicted pressure-volume relationship curves which show that TbN and CeN exhibit a NaCl type structure at an ambient pressure and undergo a structural phase transition from NaCl into CsCl phase at 136 GPa and 88 GPa, respectively. The Second order elastic constants (SOECs), Third elastic constants (TOECs) and second order pressure derivatives for these compounds have also been reported. The variation of elastic constants (Cā‚ā‚, Cā‚„ā‚„) with pressure is also presented.
 
Date 2009-02-18T10:44:07Z
2009-02-18T10:44:07Z
2009-02
 
Type Article
 
Identifier 0019-5596
http://hdl.handle.net/123456789/3165
 
Language en_US
 
Publisher CSIR
 
Source IJPAP Vol.47(2) [February 2009]