Electronic structures and optical properties of Ga doped single-layer indium nitride

Electronic structures and optical properties of single-layer In1−xGaxN are studied by employing Heyd-Scuseria-Ernzerh (HSE) method based on the first-principles. The band structure and density of states (DOS) of single-layer In1−xGaxN are calculated, and the band gap ranges from 1.8 eV to 3.8 eV as...

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Veröffentlicht in:Chinese journal of chemical physics 2018-06, Vol.31 (3), p.313-317
Hauptverfasser: Li, Zhi-wei, Guo, De-ping, Huang, Guang-yi, Tao, Wang-li, Duan, Man-yi
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Sprache:eng
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Zusammenfassung:Electronic structures and optical properties of single-layer In1−xGaxN are studied by employing Heyd-Scuseria-Ernzerh (HSE) method based on the first-principles. The band structure and density of states (DOS) of single-layer In1−xGaxN are calculated, and the band gap ranges from 1.8 eV to 3.8 eV as the ratio x changes, illustrating the potential for the tunability of band gap values via Ga doped. We also have investigated optical properties of single-layer In1−xGaxN such as dielectric function, refractive index and absorption coefficient, the main peak of dielectric function spectrum and the absorption edge are found to have a remarkable blue-shift as the concentration of Ga increases. Furthermore, the optical properties of single-layer In1−xGaxN are analyzed based on the band structures and DOS analysis. Such unique optical properties have profound application in nanoelectronics and optical devices.
ISSN:1674-0068
2327-2244
DOI:10.1063/1674-0068/31/cjcp1711216