Pure iron compressed and heated to extreme conditions.
Pure iron compressed and heated to extreme conditions.
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DOI：
10.1103/physrevlett.99.165505
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发表时间：
2007-10
影响因子：
8.6
通讯作者：
A. Mikhaylushkin;S. Simak;L. Dubrovinsky;N. Dubrovinskaia;B. Johansson;I. Abrikosov
中科院分区：
文献类型：
--
作者：
A. Mikhaylushkin;S. Simak;L. Dubrovinsky;N. Dubrovinskaia;B. Johansson;I. Abrikosov
本文报道了用第一性原理研究纯铁高压高温结构行为的结果，并得到了激光加热金刚石砧室温淬实验的支持。我们发现，与广泛接受的图片相比，面心立方（fcc）相变得像六方密堆积（hcp）相一样稳定，压力约为300-360 GPa，温度约为5000-6000 K。我们的温度淬火实验表明，铁的fcc相可以存在的压力-温度范围分别高于160 GPa和3700 K。特别是，这意味着地球核心的实际结构可能是一个复杂的阶段，有大量的堆垛层错。
The results of a first-principles study supported by the temperature-quenched laser-heated diamond anvil-cell experiments on the high-pressure high-temperature structural behavior of pure iron are reported. We show that in contrast to the widely accepted picture, the face-centered cubic (fcc) phase becomes as stable as the hexagonal-close-packed (hcp) phase at pressures around 300-360 GPa and temperatures around 5000-6000 K. Our temperature-quenched experiments indicate that the fcc phase of iron can exist in the pressure-temperature region above 160 GPa and 3700 K, respectively. This, in particular, means that the actual structure of the Earth's core may be a complex phase with a large number of stacking faults.