Accession Number : ADA335098

Title :   Modeling of Wide-Band-Gap Semiconductor Alloys

Descriptive Note : Final rept. 01 Aug 94-31 Dec 97

Corporate Author : CASE WESTERN RESERVE UNIV CLEVELAND OH

Personal Author(s) : Lambrecht, W. R.

PDF Url : ADA335098

Report Date : 09 JAN 1998

Pagination or Media Count : 60

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.

Descriptors :   *SEMICONDUCTORS, *ALLOYS, *NITRIDES, ELECTRONICS, CATIONS, OPTICAL PROPERTIES, MODELS, CRYSTAL LATTICES, ENERGY, SUBSTRATES, STRAIN(MECHANICS), LITHIUM, CHEMICAL BONDS, OXIDES, RESIDUALS, ALUMINUM, BROADBAND, GALLIUM, GROUP III COMPOUNDS, MIXING, PHONONS, INDIUM, RAMAN SPECTRA, POLYCRYSTALLINE.

Subject Categories : Electrical and Electronic Equipment
      Properties of Metals and Alloys

Distribution Statement : APPROVED FOR PUBLIC RELEASE