KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
Permanent link to this recordhttp://hdl.handle.net/10754/315750
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AbstractDensity 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.
CitationTahini 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.
JournalApplied Physics Letters