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High-pressure structural systematics of dysprosium metal compressed in a neon pressure medium to 182 GPa
Physical Review B ( IF 3.7 ) Pub Date : 2022-06-23 , DOI: 10.1103/physrevb.105.214110
D. T. Sneed , P. Söderlind , E. F. O’Bannon , H. Cynn , D. Smith , J. S. Smith , C. Park , Zs. Jenei

We present an experimental and theoretical study of dysprosium metal compressed in the soft pressure transmitting medium Ne up to 182 and 300 GPa, respectively. Angle-dispersive x-ray powder diffraction data from each of the high-pressure polymorphs shows anisotropic compression behavior indicating changes to the electron density distribution throughout its polymorphic landscape. We compare the monoclinic (mC4) and orthorhombic (oF16) structures for the collapsed structure for Dy above 82 GPa and verify that the oF16 structure offers a better fit to our data than the previously reported mC4 structure. Further, we have found that the oF16 structure undergoes similar anisotropic compression of its lattice parameters, with a turning point above 160 GPa; suggesting a potential phase transition at pressures much higher than achieved in this study. Density functional theory calculations show the likely candidate for this new high-pressure phase is the isosymmetric oF8 structure, which is predicted to be lower in energy than the oF16 structure above 275 GPa.

中文翻译:

在氖压力介质中压缩至 182 GPa 的镝金属的高压结构系统

我们提出了在软压力传输介质 Ne 中压缩的镝金属的实验和理论研究,分别高达 182 和 300 GPa。来自每个高压多晶型物的角色散 X 射线粉末衍射数据显示各向异性压缩行为,表明整个多晶型物的电子密度分布发生了变化。我们比较单斜(C4)和正交的(F16)Dy 高于 82 GPa 的折叠结构的结构,并验证F16结构比之前报道的更适合我们的数据C4结构体。此外,我们发现,F16结构的晶格参数经历了类似的各向异性压缩,转折点在 160 GPa 以上;表明潜在的相变压力远高于本研究中的压力。密度泛函理论计算表明,这种新高压相的可能候选者是等对称F8结构,预计其能量低于F16结构高于 275 GPa。
更新日期:2022-06-24
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