151. The spontaneous polarization of In-doped κ-Ga2O3 by first-principles calculation.
- Author
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Zhang, Fabi, Liu, Xu, Zhou, Juan, Liao, Qing, Sun, Tangyou, Liu, Xingpeng, Peng, Ying, Guo, Daoyou, Wang, Peng, and Li, Haiou
- Subjects
MODULATION-doped field-effect transistors ,WIDE gap semiconductors ,QUANTUM wells ,DENSITY of states ,LIGHT absorption ,ABSORPTION coefficients - Abstract
The crystal structure, band structure, density of states, and optical properties of κ-(Ga
1−x Inx )2 O3 (x = 0, 0.125, 0.25, 0.5) were studied using the first-principles calculation based on the density functional theory. With the increase of In content x, the bandgap of κ-(Ga1−x Inx )2 O3 decreases, while the light absorption coefficient increases. The spontaneous polarization of κ-(Ga1−x Inx )2 O3 was calculated qualitatively using the Born effective charge. The results suggested that κ-(Ga1−x Inx )2 O3 is also a material with spontaneous polarization properties. The spontaneous polarization in the extended c-axis has increased 1.27 times, from 27.31 to 34.58 μC/cm2 , with the increase of In content from 0 to 0.5. This work paves the way for modulating spontaneous polarization of wide bandgap semiconductors. It provides a theoretical basis for the potential application of κ-(Ga1−x Inx )2 O3 in high electron mobility transistors, quantum well-infrared photodetectors, and photovoltaic materials. [ABSTRACT FROM AUTHOR]- Published
- 2022
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