Sources of n-type conductivity in GaInO3

Abstract

Using hybrid density functional theory, we investigated formation energies and transition energies of possible donor-like defects in GaInO3, with the aim of exploring the sources of the experimentally observed n-type conductivity in this material. We predicted that O vacancies are deep donors; interstitial Ga and In are shallow donors but with rather high formation energies (>2.5 eV). Thus these intrinsic defects cannot cause high levels of n-type conductivity. However, ubiquitous H impurities existing in samples can act as shallow donors. As for extrinsic dopants, substitutional Sn and Ge are shown to act as effective donor dopants and can give rise to highly n-type conductive GaInO3; while substitutional N behaviors as a compensating center. Our results provide a consistent explanation of experimental observations.

arXiv comment6 figures

References in corpus (4)

• Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors
• Low Hole Effective Mass p-type Transparent Conducting Oxides: Identification and Design Principles
• Hybrid functional with semi-empirical van der Waals study of native defects in hexagonal BN
• Roles of oxygen vacancies on ferromagnetism in Ni doped In2O3: A hybrid functional study

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