### Abstract

Semiconductors have long been the main materials used in the manufacture of charge-based as well as photonic-based electronic devices. GaN, owing to its wide-band gap, is often used for light-emitting diodes, and other optoelectronic applications. To adjust to the desired energy band gap, GaN is often combined with Al in form of Al_{x}Ga_{1-x}N, which is expected to have a wider band gap than that of pure GaN. The increase of aluminum content yields an increase of electron activation energy. Here, we theoretically investigate how the band structure and optical spectrum evolve as the aluminum content is varied, by performing Density Functional Theory (DFT) calculation on pure wurtzite GaN and Al_{x}Ga_{1-x}N (with x = 0.125 and 0.25). Simple band structures without rigorous treatment of the electron-electron interactionss are obtained through Plane-Wave Self-Consistent Field (PWSCF) calculation of DFT. The correction to the band gap due to electron-electron interactions is expected from the implementation of GW method. While, excitonic signal in optical spectrum is expected to arise upon the implementation of Bethe-Salpeter equation. Our calculation results show that the band gap increases with x in the region of x values we study.

Original language | English |
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Title of host publication | Proceedings of the 3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017 |

Editors | Ratna Yuniati, Terry Mart, Ivandini T. Anggraningrum, Djoko Triyono, Kiki A. Sugeng |

Publisher | American Institute of Physics Inc. |

ISBN (Electronic) | 9780735417410 |

DOIs | |

Publication status | Published - 22 Oct 2018 |

Event | 3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017 - Bali, Indonesia Duration: 26 Jul 2017 → 27 Jul 2017 |

### Publication series

Name | AIP Conference Proceedings |
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Volume | 2023 |

ISSN (Print) | 0094-243X |

ISSN (Electronic) | 1551-7616 |

### Conference

Conference | 3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017 |
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Country | Indonesia |

City | Bali |

Period | 26/07/17 → 27/07/17 |

### Keywords

- Bethe-Salpeter equation
- GW method
- density functional theory

## Fingerprint Dive into the research topics of 'Density functional theory (DFT) - Based GW+BSE calculations to investigate the influence of substitution of Ga with Al on the band gap and the optical spectra of Al <sub>x</sub> Ga<sub>1- x</sub>N (x = 0, 0.125, 0.25, 1)'. Together they form a unique fingerprint.

## Cite this

_{x}Ga

_{1- x}N (x = 0, 0.125, 0.25, 1). In R. Yuniati, T. Mart, I. T. Anggraningrum, D. Triyono, & K. A. Sugeng (Eds.),

*Proceedings of the 3rd International Symposium on Current Progress in Mathematics and Sciences 2017, ISCPMS 2017*[020038] (AIP Conference Proceedings; Vol. 2023). American Institute of Physics Inc.. https://doi.org/10.1063/1.5064035