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Structural and Thermodynamic Stability of the "1111" Structure Type: A Case Study of the EuFZnPn Series
Igor V Plokhikh1, Dmitri O Charkin1, Valeriy Yu Verchenko1,2
1Department of Chemistry, Lomonosov Moscow State University , 119991 Moscow, Russia.
Abstract:
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.
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