Jump to main content
Jump to site search

Issue 37, 2013
Previous Article Next Article

Phosphorous–vacancy–oxygen defects in silicon

Author affiliations


Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.

Graphical abstract: Phosphorous–vacancy–oxygen defects in silicon

Back to tab navigation

Article information

04 Jun 2013
29 Jul 2013
First published
30 Jul 2013

J. Mater. Chem. A, 2013,1, 11384-11388
Article type

Phosphorous–vacancy–oxygen defects in silicon

H. Wang, A. Chroneos, D. Hall, E. N. Sgourou and U. Schwingenschlögl, J. Mater. Chem. A, 2013, 1, 11384
DOI: 10.1039/C3TA12167D

Social activity

Search articles by author