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    Diffusion of tin in germanium: A GGA+U approach

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    Diffusion of tin in germanium A GGA+U approach.pdf
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    Type
    Article
    Authors
    Tahini, H. A.
    Chroneos, Alexander
    Grimes, R. W.
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2011-10-18
    Online Publication Date
    2011-10-18
    Print Publication Date
    2011-10-17
    Permanent link to this record
    http://hdl.handle.net/10754/315750
    
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    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.
    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 Publishing
    Journal
    Applied Physics Letters
    DOI
    10.1063/1.3653472
    Additional Links
    http://scitation.aip.org/content/aip/journal/apl/99/16/10.1063/1.3653472
    ae974a485f413a2113503eed53cd6c53
    10.1063/1.3653472
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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