Electronic properties of corundum-like Ir2O3 and Ir2O3-Ga2O3 alloys
Date
2024-11-11
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Applied Physics Letters
Abstract
In the hexagonal, corundum-like structure, -Ga2O3 has a bandgap of 5.1 eV, which, combined with its relatively small electron effective mass, high Baliga's figure of merit, and high breakdown field, makes it a promising candidate for power electronics. Ga2O3 is easy to dope n-type, but impossible to dope p-type, impeding the realization of some electronic device designs. Developing a lattice-matched p-type material that forms a high-quality heterojunction with n-type Ga2O3 would open new opportunities in electronics and perhaps optoelectronic devices. In this work, we studied Ir2O3 as a candidate for that purpose. Using hybrid density functional theory calculations we predict the electronic band structure of -Ir2O3 and compare that to -Ga2O3, and study the stability and electronic properties of -(IrxGa1−x)2O3 alloys. We discuss the band offset between the two materials and compare it with recently available experimental data. We find that the Ir d bands that compose the top of the valence band in -Ir2O3 are much higher in energy than O p bands in -Ga2O3, possibly enabling effective p-type doping. Our results provide an insight into using the Ir2O3 or Ir2O3-Ga2O3 alloys as p-type material lattice-matched to -Ga2O3 for the realization of p–n heterojunctions.
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This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Shoaib Khalid, Anderson Janotti; Electronic properties of corundum-like Ir2O3 and Ir2O3-Ga2O3 alloys. Appl. Phys. Lett. 11 November 2024; 125 (20): 202102. https://doi.org/10.1063/5.0232445 and may be found at https://doi.org/10.1063/5.0232445.
© 2024 Author(s). Published under an exclusive license by AIP Publishing.
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Shoaib Khalid, Anderson Janotti; Electronic properties of corundum-like Ir2O3 and Ir2O3-Ga2O3 alloys. Appl. Phys. Lett. 11 November 2024; 125 (20): 202102. https://doi.org/10.1063/5.0232445