Band-gap bowing parameter of the AlxIn1-xN derived from theoretical simulation

Yen Kuang Kuo, Wen Wei Lin

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

The band-gap energy and band-gap bowing parameter of the wurtzite AlInN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b = 3.326 ± 0.072 eV. The simulation results also show that the width of the AlxIn1-xN top valence band at the F point has a maximum value of about 6.57 eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the Γ point, and the band-gap energy versus lattice constant relationship of the ternary InxGa1-xN alloys, AlxGa1-xN alloys, and AlxIn1-xN alloys is also provided.

Original languageEnglish
Pages (from-to)5557-5558
Number of pages2
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume41
Issue number9
Publication statusPublished - 2002 Sep 1

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Bending (forming)
Energy gap
simulation
Valence bands
wurtzite
valence
lattice energy
Lattice constants
Aluminum
aluminum
Chemical analysis

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physics and Astronomy(all)

Cite this

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abstract = "The band-gap energy and band-gap bowing parameter of the wurtzite AlInN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b = 3.326 ± 0.072 eV. The simulation results also show that the width of the AlxIn1-xN top valence band at the F point has a maximum value of about 6.57 eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the Γ point, and the band-gap energy versus lattice constant relationship of the ternary InxGa1-xN alloys, AlxGa1-xN alloys, and AlxIn1-xN alloys is also provided.",
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N2 - The band-gap energy and band-gap bowing parameter of the wurtzite AlInN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b = 3.326 ± 0.072 eV. The simulation results also show that the width of the AlxIn1-xN top valence band at the F point has a maximum value of about 6.57 eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the Γ point, and the band-gap energy versus lattice constant relationship of the ternary InxGa1-xN alloys, AlxGa1-xN alloys, and AlxIn1-xN alloys is also provided.

AB - The band-gap energy and band-gap bowing parameter of the wurtzite AlInN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b = 3.326 ± 0.072 eV. The simulation results also show that the width of the AlxIn1-xN top valence band at the F point has a maximum value of about 6.57 eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the Γ point, and the band-gap energy versus lattice constant relationship of the ternary InxGa1-xN alloys, AlxGa1-xN alloys, and AlxIn1-xN alloys is also provided.

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