Title of article
Behavior of the elastic and mechanical properties of Ba2BiTaO6 compound under pressure changes
Author/Authors
Carvalho، نويسنده , , E.F.V. and Diniz، نويسنده , , E.M. and Paschoal، نويسنده , , C.W.A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
4
From page
417
To page
420
Abstract
In this work we have employed atomistic simulation to model some mechanical and elastic properties of the Ba2BiTaO6 compound under pressure changes. For this, we have assumed an interionic pairwise potential data that fit well the compound structure at room pressure and temperature. The potential is very sensitive to the structural phase transition induced by the hydrostatic pressure that this compound undergoes at around 4 GPa.
Keywords
phase transition , Ba2BiTaO6 , atomistic simulation
Journal title
Computational Materials Science
Serial Year
2007
Journal title
Computational Materials Science
Record number
1682979
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