Band-gap bowing parameter of the AlxGa1-xN derived from theoretical simulation

Yen Kuang Kuo, Wen Wei Lin

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20 Citations (Scopus)

Abstract

The band-gap energy and band-gap bowing parameter of the wurtzite AlGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlGaN alloys is b = 0.353 ± 0.024 eV. The simulation results also show that the width of the AlxGa1-xN top valence band at the Γ point decreases when the aluminum composition increases and has a value of 7.331 eV for the GaN (x = 0) and 6.132 eV for the AlN (x = 1).

Original languageEnglish
Pages (from-to)73-74
Number of pages2
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume41
Issue number1
DOIs
Publication statusPublished - 2002 Jan 1

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Bending (forming)
Energy gap
wurtzite
simulation
Valence bands
aluminum
valence
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 AlGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlGaN alloys is b = 0.353 ± 0.024 eV. The simulation results also show that the width of the AlxGa1-xN top valence band at the Γ point decreases when the aluminum composition increases and has a value of 7.331 eV for the GaN (x = 0) and 6.132 eV for the AlN (x = 1).",
author = "Kuo, {Yen Kuang} and Lin, {Wen Wei}",
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AU - Lin, Wen Wei

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N2 - The band-gap energy and band-gap bowing parameter of the wurtzite AlGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlGaN alloys is b = 0.353 ± 0.024 eV. The simulation results also show that the width of the AlxGa1-xN top valence band at the Γ point decreases when the aluminum composition increases and has a value of 7.331 eV for the GaN (x = 0) and 6.132 eV for the AlN (x = 1).

AB - The band-gap energy and band-gap bowing parameter of the wurtzite AlGaN alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlGaN alloys is b = 0.353 ± 0.024 eV. The simulation results also show that the width of the AlxGa1-xN top valence band at the Γ point decreases when the aluminum composition increases and has a value of 7.331 eV for the GaN (x = 0) and 6.132 eV for the AlN (x = 1).

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