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

Yen Kuang Kuo; Wen Wei Lin

doi:10.1143/jjap.41.5557

Band-gap bowing parameter of the Al_xIn_1-xN derived from theoretical simulation

Yen Kuang Kuo, Wen Wei Lin

Department of Physics

Research output: Contribution to journal › Article › peer-review

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 Al_xIn_1-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 In_xGa_1-xN alloys, Al_xGa_1-xN alloys, and Al_xIn_1-xN alloys is also provided.

Original language	English
Pages (from-to)	5557-5558
Number of pages	2
Journal	Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume	41
Issue number	9
DOIs	https://doi.org/10.1143/jjap.41.5557
Publication status	Published - 2002 Sep

All Science Journal Classification (ASJC) codes

Engineering(all)
Physics and Astronomy(all)

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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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year = "2002",

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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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