Murphy, S. T.; Chroneos, A.; Grimes, R. W.; Jiang, C. and Schwingenschlögl, U.
PDF (Version of Record)
- Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (515Kb) | Preview
|DOI (Digital Object Identifier) Link:||http://doi.org/10.1103/PhysRevB.84.184108|
|Google Scholar:||Look up in Google Scholar|
The introduction of defects, such as vacancies, into InxGa1-xAs 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 InxGa1-xAs 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 InxGa1-xAs differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes.
|Item Type:||Journal Article|
|Copyright Holders:||2011 American Physical Society|
|Extra Information:||7 pp.|
|Academic Unit/Department:||Faculty of Science, Technology, Engineering and Mathematics (STEM) > Engineering and Innovation
Faculty of Science, Technology, Engineering and Mathematics (STEM)
|Depositing User:||Alexander Chroneos|
|Date Deposited:||09 Nov 2012 10:22|
|Last Modified:||06 Oct 2016 01:53|
|Share this page:|
Download history for this item
These details should be considered as only a guide to the number of downloads performed manually. Algorithmic methods have been applied in an attempt to remove automated downloads from the displayed statistics but no guarantee can be made as to the accuracy of the figures.