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Title: Structural and elastic properties of rare-earth nitrides at high pressure
Authors: Rukmangad, Aditi
Aynyas, Mahendra
Sanyal, Sankar P
Keywords: High-pressure;Rare earth nitrides;Phase transition;Elastic constants
Issue Date: Feb-2009
Publisher: CSIR
Abstract: 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 (C₁₁, C₄₄) with pressure is also presented.
Page(s): 114-118
ISSN: 0019-5596
Appears in Collections:IJPAP Vol.47(02) [February 2009]

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