Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN

B. T. Liou; S. H. Yen; Yen-Kuang Kuo

doi:10.1007/s00339-004-2711-1

Vegard's law deviation in band gap and bowing parameter of Al _xIn_1-xN

B. T. Liou, S. H. Yen, Yen-Kuang Kuo

Department of Physics

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

51 Citations (Scopus)

Abstract

Numerical simulation based on first-principle calculations is applied to study the wurtzite Al_xIn_1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 Å for the a lattice constant, and -0.160 ± 0.015 Å for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.

Original language	English
Pages (from-to)	651-655
Number of pages	5
Journal	Applied Physics A: Materials Science and Processing
Volume	81
Issue number	3
DOIs	https://doi.org/10.1007/s00339-004-2711-1
Publication status	Published - 2005 Aug 1

All Science Journal Classification (ASJC) codes

Chemistry(all)
Materials Science(all)

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title = "Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN",

abstract = "Numerical simulation based on first-principle calculations is applied to study the wurtzite AlxIn1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 {\AA} for the a lattice constant, and -0.160 ± 0.015 {\AA} for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.",

author = "Liou, {B. T.} and Yen, {S. H.} and Yen-Kuang Kuo",

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AU - Liou, B. T.

AU - Yen, S. H.

AU - Kuo, Yen-Kuang

PY - 2005/8/1

Y1 - 2005/8/1

N2 - Numerical simulation based on first-principle calculations is applied to study the wurtzite AlxIn1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 Å for the a lattice constant, and -0.160 ± 0.015 Å for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.

AB - Numerical simulation based on first-principle calculations is applied to study the wurtzite AlxIn1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 Å for the a lattice constant, and -0.160 ± 0.015 Å for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.

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