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Flux Growth, Crystal Structures, and Electronic Properties of the Ternary Intermetallic Compounds Ca3Pd4Bi8 and Ca3Pt4Bi8
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2022-06-15 , DOI: 10.1021/acs.inorgchem.2c01248
Alexander Ovchinnikov 1 , Anja-Verena Mudring 1, 2
Affiliation  

Reaction of the elements yielded Ca3Pt4Bi8 and CaPtBi, which are, to the best of our knowledge, the first reported ternary Ca–Pt–Bi compounds. The compounds crystallize isostructural to the Pd analogs Ca3Pd4Bi8 (own structure type) and CaPdBi (TiNiSi structure type), respectively. Employing a multistep temperature treatment allows for the growth of mm-sized single crystals of Ca3Pd4Bi8 and Ca3Pt4Bi8 from a Bi self-flux. Their crystal structures can be visualized as consisting of a three-dimensional extended polyanion [M4Bi8]6– (M = Pd, Pt), composed of interlinked M–Bi chains propagating along the c direction, and Ca2+ cations residing in one-dimensional channels between the chains. First-principles calculations reveal quasi-one-dimensional electronic behavior with reduced effective electron masses along [001]. Bader analysis points to a strong anionic character of the M species (M = Pd, Pt) in Ca3M4Bi8. Thus, it is more appropriate to address the compounds Ca3Pd4Bi8 and Ca3Pt4Bi8 as a palladide and platinide, respectively. Magnetization measurements indicate diamagnetic behavior with no indications for superconductivity down to 2 K. Electrical resistivity data are consistent with metallic behavior and suggest predominant electron–phonon scattering.

中文翻译:

三元金属间化合物 Ca3Pd4Bi8 和 Ca3Pt4Bi8 的助焊剂生长、晶体结构和电子性质

元素的反应产生 Ca 3 Pt 4 Bi 8和 CaPtBi,据我们所知,它们是第一个报道的三元 Ca-Pt-Bi 化合物。这些化合物分别与 Pd 类似物 Ca 3 Pd 4 Bi 8 (自身结构类型)和 CaPdBi (TiNiSi 结构类型)同构结晶。采用多步温度处理允许从 Bi 自熔剂中生长出毫米大小的 Ca 3 Pd 4 Bi 8和 Ca 3 Pt 4 Bi 8单晶。它们的晶体结构可以可视化为由三维扩展聚阴离子[M4 Bi 8 ] 6– (M = Pd, Pt),由沿c方向传播的相互连接的 M–Bi 链和位于链之间的一维通道中的Ca 2+阳离子组成。第一性原理计算揭示了准一维电子行为,有效电子质量沿[001]减少。Bader 分析指出,Ca 3 M 4 Bi 8中的 M 物种 (M = Pd, Pt) 具有很强的阴离子特性。因此,更适合讨论化合物 Ca 3 Pd 4 Bi 8和 Ca 3 Pt 4 Bi 8分别作为钯和铂。磁化测量表明抗磁行为,没有迹象表明低至 2 K 的超导性。电阻率数据与金属行为一致,并表明电子 - 声子散射占主导地位。
更新日期:2022-06-15
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