十二硼化物的晶体结构：简单中的复杂
Crystal structures of dodecaborides: complexity in simplicity
摘要：
分析十二硼化物$R$ B $_{12}$有趣的物理性质需要精确的晶体结构数据。我们发现，一个简单的立方模型很好地符合原子的位置在单位细胞，但不能解释所观察到的各向异性的物理性质。合作的Jahn-Teller（JT）效应稍微违反了立方晶格的理想度规和晶格间隙中电子密度分布的对称性。硼框架的JT失真的理论模型。它们的对应关系的电子密度分布的傅立叶合成的地图上使用X射线数据和解释以前观察到的导电性能的各向异性证明。硼同位素组成上的字符的晶格畸变的效果。我们还讨论了应用爱因斯坦模型的阳离子和德拜模型的硼原子来描述晶格动力学。
英文摘要：
Analysis of the intriguing physical properties of the dodecaborides, $R$B$_{12}$, requires accurate data on their crystal structure. We show that a simple cubic model fits well with the atomic positions in the unit cell but cannot explain the observed anisotropy in the physical properties. The cooperative Jahn-Teller (JT) effect slightly violates the ideal metric of the cubic lattice and the symmetry of the electron density distribution in the lattice interstices. Theoretical models of the JT distortions of the boron framework are presented. Their correspondence to the electron-density distribution on the maps of Fourier syntheses obtained using x-ray data and explaining the previously observed anisotropy of conductive properties is demonstrated. The effect of boron isotope composition on the character of the lattice distortions is shown. We also discuss the application of the Einstein model for cations and the Debye model for the boron atoms to describe the dynamics of the crystal lattice.
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