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Updated: Jan 28, 2026
06:27
Analysis of β-Amyloid-induced Abnormalities on Fibrin Clot Structure by Spectroscopy and Scanning Electron Microscopy
Published on: November 30, 2018
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The electronic structures of β-phase (AlxGa1-x)2O3 studied using DFT calculations
Ziqian Sheng1,2, Wenjing Xu1,2, Xiaoqing Zhou1,2
1Shenzhen Research Institute of Xiamen University, Shenzhen 518000, P. R. China. xuxiangyu@xmu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|January 27, 2026
Summary
Band gap engineering of aluminum gallium oxide alloys (AlxGa1-x)2O3 is crucial for advanced electronics. This study details how alloying impacts electronic structure and band alignment with gallium oxide (Ga2O3).
Area of Science:
- Materials Science
- Condensed Matter Physics
- Semiconductor Research
Background:
- Gallium oxide (Ga2O3) and its alloys are promising for power electronics and high electron mobility transistors.
- Tuning the band gap of Ga2O3 through alloying with Al2O3 is essential for optimizing device performance.
- Understanding the electronic structure evolution and band offsets in β-(AlxGa1-x)2O3 is critical for device design.
Purpose of the Study:
- To investigate the crystal structure, band gap, and electronic structure of β-(AlxGa1-x)2O3 alloys across various aluminum compositions.
- To determine the band offsets between β-(AlxGa1-x)2O3 and β-Ga2O3.
- To analyze the impact of aluminum content on the conduction band minimum (CBM), valence band maximum (VBM), and effective mass.
Main Methods:
- First-principles calculations were employed to simulate and analyze the properties of β-(AlxGa1-x)2O3 alloys.
- The study systematically varied the aluminum composition (x) to observe trends in electronic properties.
- Calculations focused on determining band gap, band alignment, and effective mass.
Main Results:
- The band gap of β-(AlxGa1-x)2O3 increases with aluminum content, from 4.86 eV for Ga2O3 (x=0) to 5.80 eV for x=0.5.
- The conduction band minimum (CBM) shifts upward with increasing Al content due to the influence of Al 3s states, while the valence band maximum (VBM) shows a slight downward shift.
- A type I (straddling) band alignment was observed between β-(AlxGa1-x)2O3 and β-Ga2O3. The effective mass increases with higher aluminum content.
Conclusions:
- Alloying Ga2O3 with Al2O3 effectively engineers the band gap and electronic structure for potential power electronic applications.
- The observed type I band alignment facilitates heterostructure formation for advanced device architectures.
- The increase in effective mass with aluminum content provides insights into carrier transport characteristics in these alloys.
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