The Intermetallic Semiconductor ht -IrGa 3 : a Material in the in-Transformation State

The compound IrGa was synthesized by direct reaction of the elements. It is formed as a high-temperature phase in the Ir-Ga system. Single-crystal X-ray diffraction analysis confirms the tetragonal symmetry (space group 4 , No. 136) with = 6.4623(1) Å and = 6.5688(2) Å and reveals strong disorder in...

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Published in:ACS Materials Au 2022-01, Vol.2 (1), p.45-54
Main Authors: Cardoso-Gil, Raúl, Zelenina, Iryna, Stahl, Quirin E, Bobnar, Matej, Koželj, Primož, Krnel, Mitja, Burkhardt, Ulrich, Veremchuk, Igor, Simon, Paul, Carrillo-Cabrera, Wilder, Boström, Magnus, Grin, Yuri
Format: Article
Language:English
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Summary:The compound IrGa was synthesized by direct reaction of the elements. It is formed as a high-temperature phase in the Ir-Ga system. Single-crystal X-ray diffraction analysis confirms the tetragonal symmetry (space group 4 , No. 136) with = 6.4623(1) Å and = 6.5688(2) Å and reveals strong disorder in the crystal structure, reflected in the huge values and anisotropy of the atomic displacement parameters. A model for the real crystal structure of -IrGa is derived by the split-position approach from the single-crystal X-ray diffraction data and confirmed by an atomic-resolution transmission electron microscopy study. Temperature-dependent electrical resistivity measurements evidence semiconductor behavior with a band gap of 30 meV. A thermoelectric characterization was performed for -IrGa and for the solid solution IrGa Zn .
ISSN:2694-2461
2694-2461
DOI:10.1021/acsmaterialsau.1c00025