Modeling of Wide-Band-Gap Semiconductor Alloys

Abstract

Under this grant, a theoretical study was performed of the group-III nitride alloys. The energies of formation and band structures of various ordered compounds of InGaN, InAlN, AlGaN and InGaAlN were calculated using the full-potential linear muffin-tin orbital and density functional methods. These were used to study the miscibility and band-gap bowing in the alloy system. Bond length distributions and residual strain were found to have an important effect on these quantities. The band structure and the total energy properties of LiGaO2 were studied in relation to its possible role as a substrate for GaN growth and as a model system for cation ordering on wurtzite based lattices. The InN optical phonon modes were calculated and used to assist the interpretation of the Raman spectra obtained on bulk polycrystalline InN fabricated in the AASERT project associated with this grant. The project led to six publications among which one review book chapter and one invited conference proceedings paper.

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Document Details

Document Type
Technical Report
Publication Date
Jan 09, 1998
Accession Number
ADA335098

Entities

People

  • W. R. Lambrecht

Organizations

  • Case Western Reserve University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Chemistry
  • Compound Semiconductors
  • Crystal Lattice Vibrations
  • Crystal Lattices
  • Crystal Structure
  • Diffraction
  • Energy Bands
  • Raman Spectra
  • Scattering
  • Semiconductors
  • Silicon Carbide
  • Solid State Electronics
  • Spectra
  • Three Dimensional
  • Wide Bandgap Semiconductors

Fields of Study

  • Materials science

Readers

  • Quantum Chemistry
  • Semiconductor Device Technology

Technology Areas

  • Microelectronics
  • Space