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Filters: Format: "application/pdf" Collection: "ir_uspace" Subject: "Impurity segregation"
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1 Liu, FengFirst-principles study of impurity segregation in edge dislocations in SiUsing ab initio calculations, the segregation of As, Ga, and Ge atoms in the core regions of perfect edge dislocations in Si is examined. When all nearest neighbors of an impurity are Si atoms, As favors the core site at maximum compression and has a segregation energy of 0.25 eV/atom. Ga and Ge im...First-principles; Impurity segregation; Edge dislocations2000-01
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