Defect engineering in III-V ternary alloys: Effects of strain and local charge on the formation of native deep defects

The effects of external and internal strains, and of defect charges on the formation of vacancies and antisites in GaAs and In0.5Ga0.5As have been investigated by first principles density functional methods. Present results show that a proper use of strain and defect charges permits the development of a defect engineering of III-V semiconductors. Specifically, they predict that doping may have major effects on the formation of antisites while the formation of vacancies may be favored only by extreme conditions of compressive strain. (C) 2002 Elsevier Science B.V. All rights reserved.