Abstract
The introduction of defects, such as vacancies, into InGaAs can have a dramatic impact on the physical and electronic properties of the material. Here we employ ab initio simulations of quasirandom supercells to investigate the structure of InGaAs and then examine the energy and volume changes associated with the introduction of an arsenic vacancy defect. We predict that both defect energies and volumes for intermediate compositions of InGaAs differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes.
- Received 13 September 2011
- Corrected 18 November 2011
DOI:https://doi.org/10.1103/PhysRevB.84.184108
©2011 American Physical Society
Corrections
18 November 2011