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

76 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

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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

Cite this

Kuo, Y. K., Liou, B. T., Yen, S. H., & Chu, H. Y. (2004). Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende in_xga_1-xN. Optics Communications, 237(4-6), 363-369. https://doi.org/10.1016/j.optcom.2004.04.012

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AU - Chu, Han Yi

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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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Access to Document

10.1016/j.optcom.2004.04.012