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Structural phase transitions in yttrium up to 183 GPa
Physical Review B ( IF 3.2 ) Pub Date : 2020-09-16 , DOI: 10.1103/physrevb.102.094104
E. J. Pace , S. E. Finnegan , C. V. Storm , M. Stevenson , M. I. McMahon , S. G. MacLeod , E. Plekhanov , N. Bonini , C. Weber

Angle-dispersive x-ray powder diffraction experiments have been performed on yttrium metal up to 183 GPa. We find that the recently discovered oF16 structure observed in the high-Z trivalent lanthanides is also adopted by yttrium above 106 GPa, pressures where it has a superconducting temperature of 20 K. We have also refined both tetragonal and rhombohedral structures against the diffraction data from the preceding “distorted-fcc” phase and we are unable to state categorically which of these is the true structure of this phase. Finally, analysis of yttrium's equation of state reveals a marked change in the compressibility upon adoption of the oF16 structure, after which the compression is that of a “regular” metal. Electronic structure calculations of oF16-Y confirm its stability over oF8 structure seen in Nd and Sm, and provide insight into the nature of the shift of orbital character from s to d under compression.

中文翻译:

钇中高达183 GPa的结构相变

已经对高达183 GPa的钇金属进行了角分散X射线粉末衍射实验。我们发现最近发现的ØF16 在高处观察到的结构ž 钇在106 GPa以上时也采用三价镧系元素,其超导温度为 20 K.我们还根据前一个“畸变fcc”相的衍射数据对了四面体和菱面体结构进行了细化,因此我们无法明确说明其中哪一个是该相的真实结构。最后,对钇的状态方程的分析表明,采用这种方法后,可压缩性发生了显着变化。ØF16压缩之后是“常规”金属的压缩。电子结构计算ØF16-Y确认其稳定性 ØF8 Nd和Sm中看到的结构,并提供了对从 sd 在压缩下。
更新日期:2020-09-16
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