Accession Number:

ADA297252

Title:

Modelling of Wide-Band-Gap Semiconductor Alloys.

Descriptive Note:

Interim rept. 1 Aug 94-31 Jul 95,

Corporate Author:

CASE WESTERN RESERVE UNIV CLEVELAND OH DEPT OF PHYSICS

Personal Author(s):

• Lambrecht, Walter R.

Report Date:

1995-07-25

Pagination or Media Count:

10.0

Abstract:

The grant studies the band gap bowing and miscibility in wide-band-gap nitride alloy systems by means of first principles LMTO calculations. Calculations were completed for AlxB1-xN and InxGa1-xN ordered structures and disordered alloys using a cluster expansion approach. Bond-length relaxation effects on the energy of formation were investigated using a Keating model for AlxB1-xN. Their effects on the band-gap bowing were investigated for InxGa1-xN. Band structure calculations were completed for GaP as a function of lattice constant. A virtual crystal approach was tested for InxGa1-xN and for SiC1-xAlNx and found to underestimate bowing in both cases. jg p.1

Descriptors:

• *SEMICONDUCTORS
• *ALLOYS
• LINEAR SYSTEMS
• CRYSTAL LATTICES
• ORDER DISORDER TRANSFORMATIONS
• ATOMIC ORBITALS
• NITRIDES
• NITROGEN
• CHEMICAL BONDS
• CLUSTERING
• ALUMINUM
• LENGTH
• GALLIUM
• MIXING
• EXPANSION
• BORON
• INDIUM
• SILICON CARBIDES
• GALLIUM PHOSPHIDES

Subject Categories:

• Properties of Metals and Alloys
• Inorganic Chemistry
• Electrical and Electronic Equipment
• Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE