Pressure-induced phase transition in LaCo5 studied by x-ray emission spectroscopy, x-ray diffraction, and density functional theory
Pressure-induced phase transition in LaCo5 studied by x-ray emission spectroscopy, x-ray diffraction, and density functional theory
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通过 X 射线发射光谱、X 射线衍射和密度泛函理论研究 LaCo5 中的压力诱导相变
DOI：
10.1103/physrevb.94.165156
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
J. Mizuki
中科院分区：
文献类型：
--
作者：
H. Yamaoka;Y. Yamamoto;E.F. Schwier;N. Tsujii;M. Yoshida;Y. Ohta;H. Sakurai;J. Lin;N. Hiraoka;H. Ishii;K. Tsuei;M. Arita;K. Shimada;J. Mizuki
利用高分辨率X射线吸收光谱(XAS)和X射线衍射综合研究了电子结构和晶体结构的压力依赖性。晶格常数比显示出 12-18 GPa 左右的异常，而晶格对称性没有变化。在具有部分荧光模式的XAS光谱以及共发射光谱的积分绝对差值中，在与晶格常数异常相似的压力范围附近发现了电子结构的变化。密度泛函理论计算证实同一压力区域周围存在磁异常。没有观察到电子结构的温度依赖性。
The pressure dependences of the electronic and crystal structures ofhave been studied with high-resolution x-ray absorption spectroscopy (XAS) and x-ray diffraction comprehensively. The lattice constant ratio ofshows an anomaly around 12–18 GPa without change in the lattice symmetry. In the XAS spectra with partial fluorescence mode as well as in the integrated absolute difference values of the Coemission spectra, a change in the electronic structure was found at around a similar pressure range as the lattice constant anomaly. Density functional theory calculations confirm the presence of a magnetic anomaly around the same pressure region. No temperature dependence of the electronic structure forandwas observed.