Structural and Thermodynamic Stability of the “1111” Structure Type: A Case Study of the EuFZnPn Series

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• 作者：Igor V. Plokhikh ; Dmitri O. Charkin ; Valeriy Yu. Verchenko ; Alexey N. Kuznetsov ; Sergey M. Kazakov ; Alexander A. Tsirlin ; Andrei V. Shevelkov
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：December 5, 2016
• 年：2016
• 卷：55
• 期：23
• 页码：12409-12418
• 全文大小：683K
• ISSN：1520-510X

文摘

Two new compounds with the LaOAgS structure, EuFZnAs (1) and EuFZnSb (2), were obtained via solid state reaction. Both compounds are tetragonal (P4/nmm) with the cell parameters a = 4.1000(1) Å and c = 9.0811(1) Å for 1 and a = 4.2852(1)Å and c = 9.4238(1)Å for 2. The absence of their phosphide analog can be explained based on crystal chemical considerations as well as on quantum-chemical estimates of their thermodynamic stability with respect to EuF₂ and EuZn₂Pn₂. The magnetic response of 1 and 2 is ascribed to the presence of Eu²⁺ ions. Both compounds are paramagnetic down to low temperatures, where they order antiferromagnetically at ∼5 K and ∼3 K, respectively. They are narrow-gap semiconductors, and EuFZnSb demonstrates a relatively high value of the Seebeck coefficient.