Phase diagram studies on iron and nickel silicides: high-pressure experiments and ab initio calculations
Phase diagram studies on iron and nickel silicides: high-pressure experiments and ab initio calculations
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铁和镍硅化物的相图研究：高压实验和从头计算
DOI：
10.1088/1742-6596/121/2/022013
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发表时间：
2008
期刊：
影响因子：
--
通讯作者：
R. Boehler
中科院分区：
文献类型：
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作者：
D. Santamaría;D. Errandonea;A. Vegas;J. Nuss;M. Jansen;P. Rodríguez‐Hernández;A. Muñoz;R. Boehler
我们进行了高压ADXRD研究Fe 5Si 3和Ni 2Si高达75 GPa。在它们中没有观察到相变发生的证据。Fe_5Si_3是各向同性压缩，而Ni_2Si是各向异性压缩。这些结果支持从头算总能量计算，其中Fe 5Si 3也预测在283 GPa的六方P63/mcm相的立方相的过渡。高压熔融研究进行了高达70 GPa的FeSi。我们发现，在12 GPa的熔化斜率的变化，这是由于熔化曲线与相界之间的交叉点-FeSi和CsCl型FeSi。最后，给出了Fe_5Si_3和Ni_2Si的状态方程。
We performed high-pressure ADXRD studies on Fe5Si3 and Ni2Si up to 75 GPa. No evidence of the occurrence of a phase transition was observed in them. Fe5Si3 was found to compress isotropically, but an anisotropic compression was observed in Ni2Si. These results are supported by ab initio total-energy calculations, which for Fe5Si3 also predicted a transition at 283 GPa from the hexagonal P63/mcm phase to a cubic phase. High-pressure melting studies were conducted on FeSi up to 70 GPa. We found a change in the melting slope at 12 GPa, which is attributed to the intersection of the melting curve with the phase boundary between -FeSi and CsCl-type FeSi. Finally, an equation of state for Fe5Si3 and Ni2Si is reported.
DOI：
10.1029/jb091ib05p04673
发表时间：
1986-04-10
期刊：
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH AND PLANETS
影响因子：
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作者：
MAO, HK;XU, J;BELL, PM
通讯作者：
BELL, PM