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Rare Earth Metal Polytellurides RETe1.8 (RE = Gd, Tb, Dy) – Directed Synthesis, Crystal and Electronic Structures, and Bonding Features

  • Single crystals of the polytellurides RETe1.8 of gadolinium, terbium, and dysprosium were prepared by chemical vapor transport and alkali metal halide flux reactions. To determine proper synthesis conditions for the desired target composition, the binary phase diagram Gd-Te was evaluated by CalPhaD methods. The compounds are isostructural to SmTe1.8 and crystallize in space group P4/n (no. 85) with lattice parameters of a = 966.10(4), 960.00(3), and 957.33(2) pm and c = 1794.15(10), 1785.77(6), and 1779.38(5) pm for GdTe1.8, TbTe1.8 and DyTe1.8, respectively. The structures consist of puckered [RETe] double slabs and planar telluride layers composed of Te2 dumbbells and linear Te3 units in accordance with ELI-D based bonding analyses. The latter can be understood as a Te3(4–) anion. GdTe1.8 is a semiconductor with a bandgap of 0.19 eV/0.17 eV (experimental / calculated). Magnetization data confirm trivalent RE ions and indicate antiferromagnetic order at T(N) = 12 K for TbTe1.8 and T(N) = 9.8 K for DyTe1.8, whereas GdTe1.8 remainsSingle crystals of the polytellurides RETe1.8 of gadolinium, terbium, and dysprosium were prepared by chemical vapor transport and alkali metal halide flux reactions. To determine proper synthesis conditions for the desired target composition, the binary phase diagram Gd-Te was evaluated by CalPhaD methods. The compounds are isostructural to SmTe1.8 and crystallize in space group P4/n (no. 85) with lattice parameters of a = 966.10(4), 960.00(3), and 957.33(2) pm and c = 1794.15(10), 1785.77(6), and 1779.38(5) pm for GdTe1.8, TbTe1.8 and DyTe1.8, respectively. The structures consist of puckered [RETe] double slabs and planar telluride layers composed of Te2 dumbbells and linear Te3 units in accordance with ELI-D based bonding analyses. The latter can be understood as a Te3(4–) anion. GdTe1.8 is a semiconductor with a bandgap of 0.19 eV/0.17 eV (experimental / calculated). Magnetization data confirm trivalent RE ions and indicate antiferromagnetic order at T(N) = 12 K for TbTe1.8 and T(N) = 9.8 K for DyTe1.8, whereas GdTe1.8 remains paramagnetic down to 2 K.show moreshow less

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Author: Hagen Poddig, Tom Donath, Paul Gebauer, Kati FinzelORCiD, Miroslav KohoutORCiD, Yuandong Wu, Peer SchmidtORCiD, Thomas DoertORCiD
URL:https://onlinelibrary.wiley.com/doi/10.1002/zaac.201800382
DOI:https://doi.org/10.1002/zaac.201800382
ISSN:1521-3749
ISSN:0044-2313
Title of the source (English):Zeitschrift für Anorganische und Allgemeine Chemie
Document Type:Scientific journal article peer-reviewed
Language:English
Year of publication:2018
Tag:Bonding analysis; Chalcogenides; Chemical vapor transport; Crystal growth; Crystal structure; Phase diagrams; Polytellurides; Thermodynamc modelling
Volume/Year:644
Issue number:24
First Page:1886
Last Page:1896
Faculty/Chair:Fakultät 2 Umwelt und Naturwissenschaften / FG Anorganische Chemie
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