Pressure-induced isostructural phase transition of metal-doped silicon clathrates
Pressure-induced isostructural phase transition of metal-doped silicon clathrates
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DOI：
10.1103/physrevb.75.012106
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发表时间：
2007-01-01
影响因子：
3.7
通讯作者：
Iitaka, Toshiaki
中科院分区：
文献类型：
--
作者：
Iitaka, Toshiaki
我们提出了一个原子模型的压力诱导的同构相变的金属掺杂的硅包合物Ba8Si46和K8Si46已观察到在14和23 GPa，分别。该模型成功地解释了状态方程、相变压力、拉曼光谱的变化、掺杂离子的依赖性以及贵金属取代Si（6c）原子的影响。
We propose an atomistic model for the pressure-induced isostructural phase transition of metal-doped silicon clathrates Ba8Si46 and K8Si46 that has been observed at 14 and 23 GPa, respectively. The model successfully explains the equation of state, transition pressure, change of Raman spectra, and dependence on the doped cations as well as the effects of substituting Si(6c) atoms with noble metals.