Modelling of Wide-Band-Gap Semiconductor Alloys.

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 Al(x)B(1-x)N and In(x)Ga(1-x)N 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 Al(x)B(1-x)N. Their effects on the band-gap bowing were investigated for In(x)Ga(1-x)N. Band structure calculations were completed for GaP as a function of lattice constant. A virtual crystal approach was tested for In(x)Ga(1-x)N and for (SiC)(1-x)(AlN)(x) and found to underestimate bowing in both cases. jg p.1

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Document Details

Document Type
Technical Report
Publication Date
Jul 25, 1995
Accession Number
ADA297252

Entities

People

  • Walter R. Lambrecht

Organizations

  • Case Western Reserve University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Abstracts
  • Band Gaps
  • Ceramic Materials
  • Conduction Bands
  • Crystal Structure
  • Crystals
  • Elastic Properties
  • Energy Bands
  • Epitaxial Growth
  • Human Resources
  • Materials
  • Military Research
  • Optical Properties
  • Semiconductors
  • Silicon Carbide
  • Wide Bandgap Semiconductors

Fields of Study

  • Materials science

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry
  • Semiconductor Device Technology

Technology Areas

  • Microelectronics