1. Charge state transition levels of Ni in β-Ga2O3 crystals from experiment and theory: An attractive candidate for compensation doping.
- Author
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Seyidov, Palvan, Varley, Joel B., Shen, Jimmy-Xuan, Galazka, Zbigniew, Chou, Ta-Shun, Popp, Andreas, Albrecht, Martin, Irmscher, Klaus, and Fiedler, Andreas
- Subjects
CRYSTALS ,DENSITY functional theory ,PHOTOCONDUCTIVITY ,VALENCE bands ,ACTIVATION energy - Abstract
Nickel-doped β-Ga
2 O3 crystals were investigated by optical absorption and photoconductivity, revealing Ni-related deep levels. The photoconductivity spectra were fitted using the phenomenological Kopylov and Pikhtin model to identify the energy of the zero-phonon transition (thermal ionization), Franck–Condon shift, and effective phonon energy. The resulting values are compared with the predicted ones by first-principle calculations based on the density functional theory (DFT). An acceptor level (0/−) of 1.9 eV and a donor level (+/0) of 1.1 eV above the valence band minimum are consistently determined for NiGa , which preferentially incorporates on the octahedrally coordinated Ga site. Temperature-dependent resistivity measurements yield a thermal activation energy of ∼2.0 eV that agrees well with the determined Ni acceptor level. Conclusively, Ni is an eminently suitable candidate for compensation doping for producing semi-insulating β-Ga2 O3 substrates due to the position of the acceptor level (below and close to the mid-bandgap). [ABSTRACT FROM AUTHOR]- Published
- 2023
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