Diffusion of tin in germanium: A GGA+U approach

H. A. Tahini, Alexander Chroneos, R. W. Grimes, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

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.
Original languageEnglish (US)
Pages (from-to)162103
JournalApplied Physics Letters
Volume99
Issue number16
DOIs
StatePublished - Oct 18 2011

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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