The lower symmetry electron-density distribution and the charge transport anisotropy in cubic dodecaboride LuB12
arXiv:1804.02255 · doi:10.1088/1361-648X/aac742
Abstract
High-quality single crystals of LuB12 are grown using the induction zone melting method. The X-ray data are collected at temperatures 293, 135, 95, 50 K. The crystal structure of LuB12 can be refined with record low R-factor in the cubic Fm-3m symmetry group despite reiterated observations of the cubic symmetry distortions both in the unit-cell values and in the physical properties. A peculiar computing strategy is developed to resolve this contradiction. True symmetry of the electron-density distribution in LuB12 is proved to be much lower than cubic as a result, which correlates very accurately with anisotropy of transport properties of LuB12.
arXiv comment17 pages, 6 figures, 1 Table
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