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Keywords = zincblende InxGa1−xN alloy

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12 pages, 4198 KiB  
Article
The Study on Structural and Photoelectric Properties of Zincblende InGaN via First Principles Calculation
by Juan Song, Zijiang Luo, Xuefei Liu, Ershi Li, Chong Jiang, Zechen Huang, Jiawei Li, Xiang Guo, Zhao Ding and Jihong Wang
Crystals 2020, 10(12), 1159; https://doi.org/10.3390/cryst10121159 - 19 Dec 2020
Cited by 10 | Viewed by 3462
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. [...] Read more.
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. Full article
(This article belongs to the Special Issue First-Principles SimulationNano-Theory)
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