Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2011-10-18Online Publication Date
2011-10-18Print Publication Date
2011-10-17Permanent link to this record
http://hdl.handle.net/10754/315750
Metadata
Show full item recordAbstract
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.Citation
Tahini H, Chroneos A, Grimes RW, Schwingenschlögl U (2011) Diffusion of tin in germanium: A GGA+U approach. Appl Phys Lett 99: 162103. doi:10.1063/1.3653472.Publisher
AIP PublishingJournal
Applied Physics Lettersae974a485f413a2113503eed53cd6c53
10.1063/1.3653472