The Open UniversitySkip to content

Diffusion of tin in germanium: a GGA+U approach

Tahini, H.; Chroneos, A.; Grimes, R. W. and Schwingenschlögl, U. (2011). Diffusion of tin in germanium: a GGA+U approach. Applied Physics Letters, 99(16) p. 162103.

Full text available as:
PDF (Version of Record) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (676Kb) | Preview
DOI (Digital Object Identifier) Link:
Google Scholar: Look up in Google Scholar


Density functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium (Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.

Item Type: Journal Article
Copyright Holders: 2011 American Institute of Physics
ISSN: 1077-3118
Extra Information: 3 pp.
Keywords: density functional theory; diffusion; elemental semiconductors; Fermi level; germanium; gradient methods; tin; vacancies (crystal)
Academic Unit/Department: Mathematics, Computing and Technology > Engineering & Innovation
Item ID: 35249
Depositing User: Alexander Chroneos
Date Deposited: 09 Nov 2012 10:10
Last Modified: 12 Apr 2013 16:35
Share this page:


Scopus Citations

Actions (login may be required)

Policies | Disclaimer

© The Open University   + 44 (0)870 333 4340