## 摘要

The wurtzite Al_{x}Ga_{1-x}N, In_{x}Ga _{1-x}N, and Al_{x}In_{1-x}N alloys are studied by numerical simulation based on first-principles calculations. For Al _{x}Ga_{1-x}N the Vegard's law deviation parameter is 0.018 ±0.001 A for the a lattice constant and -0.036 ± 0.005 Å for the c lattice constant. For In_{x}Ga_{1-x}N that is 0.047 ± 0.011 Å for the a lattice constant and -0.117 ± 0.026 Å for the c lattice constant. For Al_{x}In_{1-x}N that is 0.063 ± 0.014 Å for the a lattice constant and -0.160 ± 0.015 Å for the c lattice constant The results indicate that the band gap bowing parameters obtained with the equilibrium lattice constant and with the lattice constants derived from the Vegard's law are 0.341 ±0.035 eV and 0.351 ± 0.043 eV respectively for Al_{x}Ga_{1-x}N, 1.782 ± 0.076 eV and 1.916 ± 0.068 eV respectively for In _{x}Ga_{1-x}N, and 3.668 ± 0.147 eV and 3.457 ± 0.152 eV respectively for Al_{x}In_{1-x}N.

原文 | English |
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文章編號 | 54 |

頁（從 - 到） | 296-305 |

頁數 | 10 |

期刊 | Proceedings of SPIE - The International Society for Optical Engineering |

卷 | 5628 |

DOIs | |

出版狀態 | Published - 2005 六月 1 |

事件 | Semiconductor Lasers and Applications II - Beijing, China 持續時間: 2004 十一月 8 → 2004 十一月 9 |

## All Science Journal Classification (ASJC) codes

- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Computer Science Applications
- Applied Mathematics
- Electrical and Electronic Engineering