Multi-peak emission of In2O3 induced by oxygen vacancy aggregation

Abstract

Oxygen vacancy is crucial to the optical properties in In[Formula: see text]O[Formula: see text], however, the single oxygen vacancy model fails to explain the observed multi-peak emission in the experiment. Herein, we have theoretically investigated the diversity of oxygen vacancy distribution, revealing the relationship between the defect configurations and the optical properties. Combining the first-principles calculations and bayesian regularized artificial neural networks, we demonstrate that the structural stability can be remarkably enhanced by multi-oxygen vacancy aggregation, which will evolve with the defect concentration and temperature. Notably, our results indicate that the single oxygen vacancy will induce the emission peaks centered at 1.35 eV, while multi-peak emission near 2.35 eV will be attributed to the distribution of aggregated double oxygen vacancies. Our findings provide a comprehensive understanding of multi-peak emission observed in In[Formula: see text]O[Formula: see text], and the rules of the vacancy distribution may be extended for other metal oxides to modulate the optical properties in practice.

Ultrahigh Responsivity In2O3 UVA Photodetector through Modulation of Trimethylindium Flow Rate

“…The work function of In 2 O 3 is 5.0 eV, and the C 1s peak of In 2 O 3 can be set at 284.58 eV [37,38]. As shown in Figure 3a It is reported that the Vo in In2O3 thin films can provide electrons as shallow donors, thus UID-In2O3 thin films often contain very high background carrier concentration [41][42][43]. To evaluate the electrical properties of the In2O3 crystal film, Hall measurements are carried out and the measurement structure has been illustrated in Figure 4a.…”

“…The results are consistent with that of Hall and XPS measurements, which indicates that the reduction of the fTMIn can effectively suppress the Vo thus reduce the Id of the In2O3 PDs. It is reported that the V o in In 2 O 3 thin films can provide electrons as shallow donors, thus UID-In 2 O 3 thin films often contain very high background carrier concentration [41][42][43].…”