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• W2045489905 abstract "We present a theoretical investigation on In-related defects in silicon, aimed at understanding In interactions with native defects, vacancy (V) and self-interstitial (I), and at determining the energy parameters needed to efficiently simulate and interpret the experimental profiles. Ab initio total-energy calculations within density- functional theory and in the generalized gradient approximation are performed in order to investigate equilibrium geometries and formation energies of substitutional In, In-I, and In-V complexes. We determine the migration energies of I- and V-mediated diffusion mechanisms, discussing the location of saddle points along the minimum-energy paths. Moreover, we report anomalous characteristics of the interactions between In and V with respect to other p-like dopants. The ab initio energetics are then implemented into a continuum model for In diffusion. This allows the accurate simulations of experimental secondary-ion-mass-spectroscopy profiles of implanted and annealed samples, at various process conditions (i.e., annealing temperature, implant energy)." @default.
• W2045489905 created "2016-06-24" @default.
• W2045489905 creator A5003019769 @default.
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• W2045489905 date "2004-02-27" @default.
• W2045489905 modified "2023-09-26" @default.
• W2045489905 title "Energetics and diffusivity of indium-related defects in silicon" @default.
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• W2045489905 doi "https://doi.org/10.1103/physrevb.69.085213" @default.
• W2045489905 hasPublicationYear "2004" @default.
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