Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba3Ge16Ir4
Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba3Ge16Ir4
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超导笼状化合物Ba3Ge16Ir4的制备、晶体结构及物理性能
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
Y. Grin
中科院分区：
文献类型：
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作者：
Hong Duong Nguyen;Y. Prots;W. Schnelle;Bodo Böhme;M. Baitinger;S. Paschen;Y. Grin
笼状化合物Ba 3Ge 16 Ir 4以Ba 3Ge 16 Rh 4型晶体结构结晶，其代表BaAl 4型的分级衍生物。由单晶X射线衍射数据精确化晶体结构[Pearson符号tI46，空间群I4/mmm; a = 6.5312（2）A，c = 22.2845（6）A]。在910 °C下10 d后得到该相，在晶界处残留少量的包合物-I、BaGe 7Ir 2和α-Ge杂质。Ba_3Ge_（16）Ir_4是一种保利顺磁金属，在低于Tc = 5.1K时变为超导。电子结构和化学键的分析进行了基于密度泛函理论计算。的物理性质进行了讨论，在比较的同型相Ba 3Ge 16 Rh 4。
The cage compound Ba3Ge16Ir4 crystallizes with the Ba3Ge16Rh4 type of crystal structure, which represents a hierarchical derivative of the BaAl4 type. The crystal structure [Pearson symbol tI46, space group I4/mmm; a = 6.5312(2) A, c = 22.2845(6) A] was refined from single-crystal X-ray diffraction data. The phase was obtained after 10 d at 910 °C with small impurities of clathrate-I, BaGe7Ir2 and α-Ge remaining at the grain boundaries. Ba3Ge16Ir4 is a Pauli-paramagnetic metal, which becomes superconducting below Tc = 5.1 K. Electronic structure and analysis of the chemical bonding were performed based on density functional theory calculations. The physical properties are discussed in comparison to the isotypic phase Ba3Ge16Rh4.