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

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

doi:10.1021/acsmaterialsau.1c00025

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

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

/persons/resource/persons224571

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

/persons/resource/persons146769

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

/persons/resource/persons247344

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

/persons/resource/persons265604

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

/persons/resource/persons126556

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

/persons/resource/persons126891

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

/persons/resource/persons126855

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

/persons/resource/persons126563

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

/persons/resource/persons126544

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

/persons/resource/persons126626

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

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Citation

Cardoso-Gil, R., Zelenina, I., Stahl, Q. E., Bobnar, M., Koželj, P., Krnel, M., et al. (2022). The Intermetallic Semiconductor ht-IrGa₃: a Material in the in-Transformation State. ACS Materials AU, 2(1), 45-54. doi:10.1021/acsmaterialsau.1c00025.

Cite as: https://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.