New high-pressure phase relations in CaSnO3

被引：21

作者：

Tsuchiya, Taku ^{[1
]}

Tsuchiya, Jun ^{[1
]}

机构：

[1] Ehime Univ, Geodynam Res Ctr, Matsuyama, Ehime 7908577, Japan

来源：

AMERICAN MINERALOGIST | 2006年 / 91卷 / 11-12期

关键词：

CaSnO3; perovskite; post-perovskite; density functional calculation;

D O I：

10.2138/am.2006.2221

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

High-pressure phase stabilities of the CaSnO3 system were investigated using density functional theory static lattice energy calculations. We have identified six phase changes in this system: perovskite-post-perovskite, post-perovskite-B2+cotunnite in CaSiO3, B1-B2 in CaO, cassiterite-pyrite, pyrite-orthorhombic-I, and orthorhombic-I-cotunnite in SnO2- Our results demonstrate a new high-pressure phase sequence of perovskite -> post-perovskite -> B2 + cotunnite. The post-perovskite transformation occurs at similar to 12 GPa with similar to 2.5% volume reduction and then it decomposes into the oxide mixture of B2 CaO and cotunnite SnO2 at similar to 70 GPa with 8.1% volume reduction. The results also predict a few percent bulk velocity variations across these phase changes.

引用

页码：1879 / 1887

页数：9

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