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

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

Research output: Contribution to journalArticle

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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 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 languageEnglish
Pages (from-to)651-655
Number of pages5
JournalApplied Physics A: Materials Science and Processing
Volume81
Issue number3
DOIs
Publication statusPublished - 2005 Aug 1

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Bending (forming)
Lattice constants
Energy gap
Computer simulation

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)

Cite this

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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.",
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Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN. / Liou, B. T.; Yen, S. H.; Kuo, Yen-Kuang.

In: Applied Physics A: Materials Science and Processing, Vol. 81, No. 3, 01.08.2005, p. 651-655.

Research output: Contribution to journalArticle

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AU - Yen, S. H.

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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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