Export citation

Export citation

Choose format for download:

Download Citation

    Spinel LiGa5O8 as a p-type ultrawide band gap semiconductor: A critical theoretical reevaluation

    Yongcheng Zhu and Zewen Xiao*

    • *Contact author: zwxiao@scu.edu.cn

    Phys. Rev. B 113, 235205 – Published 11 June, 2026

    DOI: https://doi.org/10.1103/dw4g-kzpm

    Abstract

    Transparent oxide semiconductors are pivotal for optoelectronic applications, but the development of p-type ones, especially those with ultrawide band gaps, remains a significant challenge. Recently, spinel LiGa5O8 (band gap approximately 5.3 eV) was reported as a robust p-type ultrawide band gap semiconductor, with oxygen vacancies proposed to play an important role in achieving the p-type conductivity. This work presents a critical first-principles reevaluation of the feasibility of p-type conduction in LiGa5O8. We find that, similar to its structural analog spinel ZnGa2O4 and precursor β-Ga2O3, LiGa5O8 exhibits a deep, localized valence band maximum composed solely of O 2p orbitals, which intrinsically impedes hole generation and transport. Our analysis reveals that oxygen vacancies act as deep donors rather than shallow acceptors, directly invalidating the proposal that they play an important role in p-type conductivity. The Ga-on-Li antisite donor exhibits negative formation energies in the p-type Fermi level (EF) region, triggering a strong autocompensation mechanism that pins the EF above midgap and fundamentally prohibits p-type conductivity. Therefore, LiGa5O8 is theoretically predicted not to be a viable p-type semiconductor. Furthermore, the relatively high conduction band minimum of LiGa5O8 inherently limits its n-type dopability. Although substitutional Si dopant is predicted to be a shallow donor, its prohibitively high formation energy ultimately prevents the attainment of n-type conductivity. Consequently, LiGa5O8 is established as an intrinsic insulator. This conclusion challenges recent experimental reports of p-type conductivity in LiGa5O8 and necessitates comprehensive validation for any future claims of conductivity in ultrawide band gap oxides.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation