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- W2330656029 abstract "The formations of dopant (B, As) - self-interstitial Si atom (I) complexes BI, AsI and dopant (B, As) -vacancy (V) complexes BV, AsV in Si crystals were analysed by first-principles calculation. To evaluate the gettering efficiency of dopant-point defect complexes for impurity metal atoms M, the interactions of M (Ti, Cr, Mn, Fe, Co, Ni, Cu, Zn, W, Mo, W, Hf, Ta) with BI, AsI, BV, AsV complexes were investigated by the total energies of geometry optimized cells. Following results were obtained. (1) BI, BV, AsI and AsV form the stable complexes with metal atoms M, (2) BI complex is more stable than BV, while AsV complex is more stable than AsI, and (3) BI and AsV complexes become more effective gettering sites than the isolated dopant (B, As) atom." @default.
- W2330656029 created "2016-06-24" @default.
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- W2330656029 date "2013-01-01" @default.
- W2330656029 modified "2023-10-17" @default.
- W2330656029 title "First-Principles Calculation on Interaction of Dopant-Point Defect Complex and Metal Atom in Si Crystal" @default.
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- W2330656029 doi "https://doi.org/10.1299/kikaia.79.327" @default.
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