Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende inxga1-xN

Yen Kuang Kuo; Bo Ting Liou; Sheng Horng Yen; Han Yi Chu

doi:10.1016/j.optcom.2004.04.012

Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende in_xga_1-xN

Yen Kuang Kuo, Bo Ting Liou, Sheng Horng Yen, Han Yi Chu

Department of Physics

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

80 Citations (Scopus)

Abstract

Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende In_xGa_1-xN. The deviation parameter of the lattice constant is determined to be -0.004 Å. A band gap bowing parameter of 1.890±0.097 eV is obtained with the equilibrium lattice constant and 1.857±0.093 eV is obtained with the lattice constant derived from Vegard's law.

Original language	English
Pages (from-to)	363-369
Number of pages	7
Journal	Optics Communications
Volume	237
Issue number	4-6
DOIs	https://doi.org/10.1016/j.optcom.2004.04.012
Publication status	Published - 2004 Jul 15

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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10.1016/j.optcom.2004.04.012

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title = "Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende inxga1-xN",

abstract = "Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende InxGa1-xN. The deviation parameter of the lattice constant is determined to be -0.004 {\AA}. A band gap bowing parameter of 1.890±0.097 eV is obtained with the equilibrium lattice constant and 1.857±0.093 eV is obtained with the lattice constant derived from Vegard's law.",

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

year = "2004",

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language = "English",

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pages = "363--369",

journal = "Optics Communications",

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AU - Kuo, Yen Kuang

AU - Liou, Bo Ting

AU - Yen, Sheng Horng

AU - Chu, Han Yi

PY - 2004/7/15

Y1 - 2004/7/15

N2 - Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende InxGa1-xN. The deviation parameter of the lattice constant is determined to be -0.004 Å. A band gap bowing parameter of 1.890±0.097 eV is obtained with the equilibrium lattice constant and 1.857±0.093 eV is obtained with the lattice constant derived from Vegard's law.

AB - Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende InxGa1-xN. The deviation parameter of the lattice constant is determined to be -0.004 Å. A band gap bowing parameter of 1.890±0.097 eV is obtained with the equilibrium lattice constant and 1.857±0.093 eV is obtained with the lattice constant derived from Vegard's law.

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