Work

Phase Evolution in La-Alloyed β-Ga2O3 Nanofibers: Experimental and DFT Simulation Insights

Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide La-alloyed β-Ga 2 O 3 nanofibers with varying La concentrations (0, 1, 5, and 10 at. %) are successfully synthesized using the electrospinning method to investigate the effects of incorporating La on phase formations. At La 1 at. % alloying, the polycrystalline β-Ga 2 O 3 phase remains stable, indicating that this concentration is within its solubility limit. However, higher La alloying levels (5 and 10 at. %) lead to the formation of additional phases, including La 2 O 3, Ga 3 La 5, La 4 Ga 2 O 5, cubic La 2 O 5, and orthorhombic LaGaO 3 . Notably, when increasing the La concentration, the nonoxide metallic compound La 3 Ga 5 is observed, likely due to enhanced Ga–La interactions. Density functional theory (DFT) simulations confirm that La 3 Ga 5 has metallic properties, which could potentially improve the electrical performance of Ga 2 O 3 -based devices. Furthermore, DFT simulations predict the formation, phase stability, and structure of La-based precipitates, offering valuable insights into the alloying behavior and material properties of Ga 2 O 3 . These findings suggest possibilities for enhancing the functionality of Ga 2 O 3 semiconductors in electronic applications.
Source: ACS Omega
Language: English
Open Access status: gold
Estimated APC paid: $1,935
OpenAlex ID: W4409497888
FWCI:
Cites: 38
Cited by:
Related to: 10