The elastic and optical properties of the high-pressure hydrous phase delta-AlOOH
2006 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 137, no 1-2, 101-106 p.Article in journal (Refereed) Published
delta-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 delta-AlOOH. Comparison between the elastic constants of delta-AlOOH and alpha-Al2O3 (corundum) shows that delta-AlOOH is as hard as corundum even though it contains 15% amount of water. In addition, delta-AlOOH has a calculated refractive index n similar to that of corundum.
Place, publisher, year, edition, pages
2006. Vol. 137, no 1-2, 101-106 p.
AlOOH, band structure, elastic constants, equation of state, phase, transition, brillouin-zone integrations, water transport, special points, constants, diaspore, corundum, systems, limit
IdentifiersURN: urn:nbn:se:kth:diva-15363DOI: 10.1016/j.ssc.2005.08.031ISI: 000234286600023ScopusID: 2-s2.0-28844435391OAI: oai:DiVA.org:kth-15363DiVA: diva2:333404
QC 201005252010-08-052010-08-05Bibliographically approved