2024/02/17 by Klichchupong Dabsamut, Dabsamut, Klichchupong, Kaito Takahashi +3 · 1 citation
Engineering · Physics and Astronomy · #Advancements in Battery Materials #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices #Semiconductor materials and interfaces
paper · pdf · doi:10.48550/arxiv.2402.11162
openalex publication_date 2024/02/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
Recently, LiGa5O8 was identified as a cubic spinel type ultra-wide-band-gap semiconductor with a gap of about 5.36 eV and reported to be unintentionally p-type. Here we present first-principles calculations of the native defects and various of their complexes to try to explain the occurrence of p-type doping. Although we find Li-vacancies to be somewhat shallower acceptors than in LiGaO2, and becoming slightly shallower in complexes with donors such as V\rm O and Ga\rm Li antisites, these V\rm Li based defects are not sufficiently shallow to explain p-type doping. The dominant defects are donors and in equilibrium the Fermi level would be determined by compensation between donors and acceptors, and pinned deep in the gap.