Title of article :
First order structural phase transition in strontium chalcogenides at high pressure
Author/Authors :
Srivastava، نويسنده , , A.K. and Ahrar Mundari، نويسنده , , Noor Danish، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
6
From page :
384
To page :
389
Abstract :
Two body potential model, which consists of long-range Coulombic interactions, van der Waals (vdW) interaction, and short-range overlap repulsive interaction effective up to second neighbour ions, has been used to explorer the structural and elastic properties of SrX (X = O, S, Se and Te). The van der Waals coefficients, different hardness and range parameters for both the phases have been incorporated to achieve most accurate results. It is found that there is a good agreement between calculated results and available experimental results on phase transition pressure and volume collapse.
Keywords :
phase transition , elastic properties , Strontium chalcogenides
Journal title :
Computational Materials Science
Serial Year :
2013
Journal title :
Computational Materials Science
Record number :
1690231
Link To Document :
بازگشت