The Effects of Biaxial Strain and Chemical Ordering on the Band Gap of InGaN

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The authors have performed first-principles calculations to examine the effects of biaxial strain and chemical ordering on the band gap of wurtzite In{sub x}Ga{sub 1{minus}x}N in the range 0 {le} x {le} 0.5. The results for unstrained, random alloys are in good agreement with theoretical estimates and measurements on unstrained zinc-blende alloys, but are in poor agreement with recent measurements on strained wurtzite alloys which display significantly lower gaps. Biaxial strain is found to have a non-linear effect on calculated alloy gaps, increasing them for x < 0.25 and decreasing them for x > 0.25. However, the overall agreement with ... continued below

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12 p.

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Wright, Alan F. & van Schilfgaarde, Mark July 17, 2000.

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This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 12 times . More information about this article can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM (United States)
    Place of Publication: Albuquerque, New Mexico
  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Livermore, CA (United States)
    Place of Publication: Livermore, California

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The authors have performed first-principles calculations to examine the effects of biaxial strain and chemical ordering on the band gap of wurtzite In{sub x}Ga{sub 1{minus}x}N in the range 0 {le} x {le} 0.5. The results for unstrained, random alloys are in good agreement with theoretical estimates and measurements on unstrained zinc-blende alloys, but are in poor agreement with recent measurements on strained wurtzite alloys which display significantly lower gaps. Biaxial strain is found to have a non-linear effect on calculated alloy gaps, increasing them for x < 0.25 and decreasing them for x > 0.25. However, the overall agreement with measured wurtzite values remains poor. Chemical ordering along the [0001] direction in strained alloys is found to decrease the band gaps considerably, yielding much improved agreement with measurements. They discuss their results with regard to current theories concerning the optical properties of wurtzite InGaN alloys.

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12 p.

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OSTI as DE00759991

Medium: P; Size: 12 pages

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  • Journal Name: Applied Physics Letters; Other Information: Submitted to Applied Physics Letters

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  • Report No.: SAND2000-1905J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 759991
  • Archival Resource Key: ark:/67531/metadc709736

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • July 17, 2000

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • April 6, 2017, 7:58 p.m.

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Wright, Alan F. & van Schilfgaarde, Mark. The Effects of Biaxial Strain and Chemical Ordering on the Band Gap of InGaN, article, July 17, 2000; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc709736/: accessed December 11, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.