Bowing parameter of zincblende InxGa1-xN

Yen-Kuang Kuo; Han Yi Chu; Sheng Horng Yen; Bo Ting Liou; Mei Ling Chen

doi:10.1016/j.optcom.2007.07.058

Bowing parameter of zincblende In_xGa_1-xN

Yen-Kuang Kuo, Han Yi Chu, Sheng Horng Yen, Bo Ting Liou, Mei Ling Chen

Department of Physics

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

14 Citations (Scopus)

Abstract

The zincblende In_xGa_1-xN alloys are studied by numerical analysis based on first-principles calculations. A 64-atom supercell is used to model these alloys. Our results indicate that the ternary In_xGa_1-xN alloys have an average band gap bowing parameter of 2.08 eV. The simulation results also suggest that the composition-dependent bowing parameter of the ternary In_xGa_1-xN alloys can be expressed by a third-order polynomial equation, b(x) = -4.7422 x³ + 6.9592 x² - 2.3136 x + 2.1301 (eV).

Original language	English
Pages (from-to)	153-156
Number of pages	4
Journal	Optics Communications
Volume	280
Issue number	1
DOIs	https://doi.org/10.1016/j.optcom.2007.07.058
Publication status	Published - 2007 Dec 1

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry
Electrical and Electronic Engineering

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title = "Bowing parameter of zincblende InxGa1-xN",

abstract = "The zincblende InxGa1-xN alloys are studied by numerical analysis based on first-principles calculations. A 64-atom supercell is used to model these alloys. Our results indicate that the ternary InxGa1-xN alloys have an average band gap bowing parameter of 2.08 eV. The simulation results also suggest that the composition-dependent bowing parameter of the ternary InxGa1-xN alloys can be expressed by a third-order polynomial equation, b(x) = -4.7422 x3 + 6.9592 x2 - 2.3136 x + 2.1301 (eV).",

author = "Yen-Kuang Kuo and Chu, {Han Yi} and Yen, {Sheng Horng} and Liou, {Bo Ting} and Chen, {Mei Ling}",

year = "2007",

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doi = "10.1016/j.optcom.2007.07.058",

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journal = "Optics Communications",

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T1 - Bowing parameter of zincblende InxGa1-xN

AU - Kuo, Yen-Kuang

AU - Chu, Han Yi

AU - Yen, Sheng Horng

AU - Liou, Bo Ting

AU - Chen, Mei Ling

PY - 2007/12/1

Y1 - 2007/12/1

N2 - The zincblende InxGa1-xN alloys are studied by numerical analysis based on first-principles calculations. A 64-atom supercell is used to model these alloys. Our results indicate that the ternary InxGa1-xN alloys have an average band gap bowing parameter of 2.08 eV. The simulation results also suggest that the composition-dependent bowing parameter of the ternary InxGa1-xN alloys can be expressed by a third-order polynomial equation, b(x) = -4.7422 x3 + 6.9592 x2 - 2.3136 x + 2.1301 (eV).

AB - The zincblende InxGa1-xN alloys are studied by numerical analysis based on first-principles calculations. A 64-atom supercell is used to model these alloys. Our results indicate that the ternary InxGa1-xN alloys have an average band gap bowing parameter of 2.08 eV. The simulation results also suggest that the composition-dependent bowing parameter of the ternary InxGa1-xN alloys can be expressed by a third-order polynomial equation, b(x) = -4.7422 x3 + 6.9592 x2 - 2.3136 x + 2.1301 (eV).

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