Band-Gap Bowing Parameters of the Zincblende Ternary III–Nitrides Derived from Theoretical Simulation
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概要
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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 InxGa1-xN, 0.755 eV and 0.296 eV for AlxGa1-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 AlxIn1-xN. The relationship between band-gap energy and lattice constant for zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN is also provided.
- INSTITUTE OF PURE AND APPLIED PHYSICSの論文
- 2004-01-15
著者
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Lin Wen-wei
Department Of Mathematics National Tsing Hua University
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Kuo Yen-kuang
Department Of Physics National Changhua University Of Education
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Liou Bo-Ting
Department of Physics, National Changhua University of Education, Changhua 50058, Taiwan, R.O.C.
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Lin Wen-Wei
Department of Physics, National Changhua University of Education, Changhua 50058, Taiwan, R.O.C.
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Liou Bo-Ting
Department of Mechanical Engineering, Hsiuping Institute of Technology, Taichung 41283, Taiwan
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