Abstract
In this paper, the structure and photoelectric characteristics of zincblende InxGa1−xN alloys are systematically calculated and analyzed based on the density functional theory, including the lattice constant, band structure, distribution of electronic states, dielectric function, and absorption coefficient. The calculation results show that with the increase in x, the lattice constants and the supercell volume increase, whereas the bandgap tends to decrease, and InxGa1−xN alloys are direct band gap semiconductor materials. In addition, the imaginary part of the dielectric function and the absorption coefficient are found to redshift with the increase in indium composition, expanding the absorption range of visible light. By analyzing the lattice constants, polarization characteristics, and photoelectric properties of the InxGa1−xN systems, it is observed that zincblende InxGa1−xN can be used as an alternative material to replace the channel layer of wurtzite InxGa1−xN heterojunction high electron mobility transistor (HEMT) devices to achieve the manufacture of HEMT devices with higher power and higher frequency. In addition, it also provides a theoretical reference for the practical application of InxGa1−xN systems in optoelectronic devices.
Highlights
GaN, as a representative of third-generation semiconductors with a wide bandgap, has numerous advantages, such as direct bandgap, high-temperature resistance, and easy formation of heterostructures.It has significant military and commercial value for meeting the working requirements of high-power, high-frequency, and anti-radiation semiconductor devices [1]
In terms of theoretical research, a growing number of groups have conducted research on the band gap bowing parameter of zincblende Inx Ga1−x N [18,19,20,21,22,23,24], but few reports have been published that discuss in detail the lattice constant, the change of bandgap, density of state, and optical properties
The results show a negligible (0.23%) variation in lattice constants under all indium compositions
Summary
GaN, as a representative of third-generation semiconductors with a wide bandgap, has numerous advantages, such as direct bandgap, high-temperature resistance, and easy formation of heterostructures. In terms of theoretical research, a growing number of groups have conducted research on the band gap bowing parameter of zincblende Inx Ga1−x N [18,19,20,21,22,23,24], but few reports have been published that discuss in detail the lattice constant, the change of bandgap, density of state, and optical properties These physical properties are relevant for Inx Ga1−x N alloy-based heterojunction electronic devices and optoelectronic devices. We calculate the basic physical properties of Inx Ga1−x N using the first principles, and analyzed the lattice constant, polarization characteristics, the change of bandgap, and optical characteristics This could provide a theoretical reference for the experimental research of full-spectrum solar cells and HEMT devices with higher frequency and higher power
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