Department of Physics, University of Alabama at Birmingham, Birmingham, AL 35294, USA.
J Phys Condens Matter. 2011 Aug 10;23(31):315701. doi: 10.1088/0953-8984/23/31/315701. Epub 2011 Jul 14.
High pressure x-ray diffraction studies have been performed on the heavy rare earth metal erbium (Er) in a diamond anvil cell at room temperature to a pressure of 151 GPa and Er has been compressed to 40% of its initial volume. The rare earth crystal structure sequence hcp → Sm type → dhcp → distorted fcc (hcp: hexagonal close packed; fcc: face centered cubic; dhcp: double hcp) is observed in Er below 58 GPa. We have carried out Rietveld refinement of crystal structures in the pressure range between 58 GPa and 151 GPa. We have examined various crystal structures that have been proposed for the distorted fcc (dfcc) phase and the post-dfcc phase in rare earth metals. We find that the hexagonal hR 24 structure is the best fit between 58 and 118 GPa. Above 118 GPa, a structural transformation from hR 24 phase to a monoclinic C 2/m phase is observed with a volume change of - 1.9%. We have also established a clear trend for the pressure at which a post-dfcc phase is formed in rare earth metals and show that there is a monotonic increase in this pressure with the filling of 4f shell.
室温至 151GPa 高压下的 X 射线衍射研究表明,重稀土金属铒(Er)在金刚石压腔中被压缩至初始体积的 40%。在 58GPa 以下,Er 呈现出稀土晶体结构序列 hcp→Sm 型→dhcp→扭曲的 fcc(hcp:密排六方;fcc:面心立方;dhcp:双 hcp)。我们在 58GPa 至 151GPa 压力范围内对晶体结构进行了 Rietveld 精修。我们研究了各种被提出的稀土金属扭曲的 fcc(dfcc)相和 dfcc 后相的晶体结构。我们发现,六角 hR 24 结构在 58GPa 至 118GPa 之间的拟合效果最佳。在 118GPa 以上,观察到从 hR 24 相到单斜 C 2/m 相的结构转变,体积变化为-1.9%。我们还确定了稀土金属中形成 dfcc 后相的压力趋势,并表明随着 4f 壳层的填充,该压力呈单调增加。