Cubic perovskite polymorph of strontium metasilicate at high pressures
Cubic perovskite polymorph of strontium metasilicate at high pressures
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高压偏硅酸锶的立方钙钛矿多晶型物
DOI：
10.2138/am.2013.4470
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发表时间：
2013-11
影响因子：
3.1
通讯作者：
Jian Xu
中科院分区：
文献类型：
--
作者：
Dayong Tan;Wei Zhou;Jing Liu;Jian Xu
摘要利用金刚石对顶砧（DAC）和激光加热技术，在-38 GPa和1500-2000 K的压力下，首次合成了立方钙钛矿结构的SrSiO 3。当用Birch-Murnaghan状态方程（K 0 ′固定为4）拟合时，新相的P-V数据给出的室温弹性常数分别为V0 = 49.18（5）GPa，K 0 = 211（3）GPa.在减压下，SrSiO 3立方钙钛矿相在-6.2 GPa下变得不稳定，并在-4.7 GPa下完全消失。转化产物可以被认为是无定形相，在无定形基质中具有少量的小尺寸晶体。第一性原理计算预测的立方和六层重复的六方钙钛矿型的SrSiO 3的多晶型物的结构特性与实验结果吻合良好。实验和理论结果表明，在下地幔条件下，较大的Sr ~（2+）离子可以取代Ca ~（2+）离子进入钙钛矿相CaSiO_3的晶格中，而晶格应变很小。这些结果表明，Sr可以托管在立方钙钛矿CaSiO 3中，这些钙钛矿CaSiO 3作为包裹体存在于起源于下地幔的钻石中
Abstract By using a diamond-anvil cell (DAC) with laser heating technology, a cubic perovskite polymorph of SrSiO3 has been synthesized at - 38 GPa and 1500-2000 K for the first time. The P-V data of this new phase give ambient temperate elastic constants of V0 = 49.18(5) Å3, K0 = 211(3) GPa, respectively, when they are fitted against the Birch-Murnaghan equation of state with a fixed K0′ at 4. On decompression, the SrSiO3 cubic perovskite phase becomes unstable at - 6.2 GPa and disappears completely at - 4.7 GPa. The transformed product can be considered as an amorphous phase with a minor amount of small sized crystals in the amorphous matrix. First principle calculations predicted structural properties of both the cubic and the six-layer-repeated hexagonal perovskite polymorphs of SrSiO3 in good agreement with experimental results. The experimental and theoretical results indicate that the larger Sr2+ cation can substitute the Ca2+ cation and enter into the lattice of the cubic perovskite phase of CaSiO3 at lower mantle conditions with only a small lattice strain. These results indicate that Sr can be hosted in cubic perovskite CaSiO3 found as inclusions in diamonds originating from the lower mantle
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影响因子：
2.3
作者：
Hiroshi Taura;H. Yurimoto;Takumi Kato;S. Sueno
通讯作者：
Hiroshi Taura;H. Yurimoto;Takumi Kato;S. Sueno
DOI：
10.1107/s1600536806004065
发表时间：
2006-03
影响因子：
0.9
作者：
N. Ngah;Najihah Dariman;B. Yamin
通讯作者：
N. Ngah;Najihah Dariman;B. Yamin
影响因子：
64.8
作者：
A. Sobolev;A. Hofmann;K. Jochum;D. Kuzmin;B. Stoll
通讯作者：
A. Sobolev;A. Hofmann;K. Jochum;D. Kuzmin;B. Stoll
影响因子：
2.1
作者：
P. Pruzan;D. Gourdain;J. Chervin;B. Canny;B. Couzinet;M. Hanfland
通讯作者：
P. Pruzan;D. Gourdain;J. Chervin;B. Canny;B. Couzinet;M. Hanfland
DOI：
10.1107/s0108768106035762
发表时间：
2006-12
期刊：
Acta crystallographica. Section B, Structural science
影响因子：
--
作者：
R. Caracas;R. Wentzcovitch
通讯作者：
R. Caracas;R. Wentzcovitch