Band-Gap Bowing Parameters of the Zincblende Ternary III-Nitrides Derived from Theoretical Simulation

Wen Wei Lin, Yen Kuang Kuo, Bo Ting Liou

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Abstract

The band-gap bowing parameters of unstrained zincblende ternary III-nitride alloys are investigated numerically with the CASTEP simulation program. Direct and indirect band-gap bowing parameters of 1.379 eV and 1.672 eV for In xGa1-xN, 0.755 eV and 0.296 eV for AlxGa 1-xN, and 2.729 eV and 3.624 eV for AlxIn1-xN are obtained. Simulation results show that the direct band-gap energy is always smaller than its indirect counterpart for InxGa1-xN, indicating that the zincblende InxGa1-xN is a direct band-gap semiconductor. There is a direct-indirect crossover near x = 0.571 for AlxGa1-xN, and x = 0.244 for AlxIn 1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.

Original languageEnglish
Pages (from-to)113-114
Number of pages2
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume43
Issue number1
DOIs
Publication statusPublished - 2004 Jan

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Bending (forming)
zincblende
Nitrides
nitrides
Energy gap
simulation
Lattice constants
crossovers
Semiconductor materials

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "Band-Gap Bowing Parameters of the Zincblende Ternary III-Nitrides Derived from Theoretical Simulation",
abstract = "The band-gap bowing parameters of unstrained zincblende ternary III-nitride alloys are investigated numerically with the CASTEP simulation program. Direct and indirect band-gap bowing parameters of 1.379 eV and 1.672 eV for In xGa1-xN, 0.755 eV and 0.296 eV for AlxGa 1-xN, and 2.729 eV and 3.624 eV for AlxIn1-xN are obtained. Simulation results show that the direct band-gap energy is always smaller than its indirect counterpart for InxGa1-xN, indicating that the zincblende InxGa1-xN is a direct band-gap semiconductor. There is a direct-indirect crossover near x = 0.571 for AlxGa1-xN, and x = 0.244 for AlxIn 1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.",
author = "Lin, {Wen Wei} and Kuo, {Yen Kuang} and Liou, {Bo Ting}",
year = "2004",
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pages = "113--114",
journal = "Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes",
issn = "0021-4922",
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TY - JOUR

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AU - Lin, Wen Wei

AU - Kuo, Yen Kuang

AU - Liou, Bo Ting

PY - 2004/1

Y1 - 2004/1

N2 - The band-gap bowing parameters of unstrained zincblende ternary III-nitride alloys are investigated numerically with the CASTEP simulation program. Direct and indirect band-gap bowing parameters of 1.379 eV and 1.672 eV for In xGa1-xN, 0.755 eV and 0.296 eV for AlxGa 1-xN, and 2.729 eV and 3.624 eV for AlxIn1-xN are obtained. Simulation results show that the direct band-gap energy is always smaller than its indirect counterpart for InxGa1-xN, indicating that the zincblende InxGa1-xN is a direct band-gap semiconductor. There is a direct-indirect crossover near x = 0.571 for AlxGa1-xN, and x = 0.244 for AlxIn 1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.

AB - The band-gap bowing parameters of unstrained zincblende ternary III-nitride alloys are investigated numerically with the CASTEP simulation program. Direct and indirect band-gap bowing parameters of 1.379 eV and 1.672 eV for In xGa1-xN, 0.755 eV and 0.296 eV for AlxGa 1-xN, and 2.729 eV and 3.624 eV for AlxIn1-xN are obtained. Simulation results show that the direct band-gap energy is always smaller than its indirect counterpart for InxGa1-xN, indicating that the zincblende InxGa1-xN is a direct band-gap semiconductor. There is a direct-indirect crossover near x = 0.571 for AlxGa1-xN, and x = 0.244 for AlxIn 1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.

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