Title of article :
The elastic and optical properties of the high-pressure hydrous phase δ-AlOOH
Author/Authors :
Li، نويسنده , , Sa and Ahuja، نويسنده , , Rajeev and Johansson، نويسنده , , Bِrje، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
δ-AlOOH has recently been reported to be the least compressible hydrous phase known with a compressibility comparable to corundum and stishovite. It is predicted to be stable at the lower mantle conditions of the earth. By means of first principles methods, we have studied phase stability, electronic structure, elastic and optical properties of δ-AlOOH. Comparison between the elastic constants of δ-AlOOH and α-Al2O3 (corundum) shows that δ-AlOOH is as hard as corundum even though it contains 15% amount of water. In addition, δ-AlOOH has a calculated refractive index n similar to that of corundum.
Keywords :
D. Equation of state , D. Phase transition , D. Elastic constants , A. AlOOH , C. Band structure
Journal title :
Solid State Communications
Journal title :
Solid State Communications