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The Intermetallic Semiconductor ht-IrGa3: a Material in the in-Transformation State

MPS-Authors
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Cardoso-Gill,  Raúl
Raul Cardoso, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Zelenina,  Iryna
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Bobnar,  Matej
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Koželj,  Primož
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Krnel,  Mitja
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt,  Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Veremchuk,  Igor
Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Simon,  Paul
Paul Simon, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Carrillo-Cabrera,  Wilder
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Boström,  Magnus
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Cardoso-Gill, R., Zelenina, I., Stahl, Q. E., Bobnar, M., Koželj, P., Krnel, M., et al. (2021). The Intermetallic Semiconductor ht-IrGa3: a Material in the in-Transformation State. ACS Materials AU, 1-10. doi:10.1021/acsmaterialsau.1c00025.


Cite as: http://hdl.handle.net/21.11116/0000-0009-4180-C
Abstract
The compound IrGa3 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 P42/mnm, No. 136) with a = 6.4623(1) Å and c = 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 ht-IrGa3 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 ht-IrGa3 and for the solid solution IrGa3–xZnx.