Effect of transition metals co-dopant on eliminating boron and phosphorous impurities from silicon
Boukhvalov D.W. Abdullin K.A. Turmagambetov T.S. Shongalova A.К. Nevmerzhitskiy I.S. Serikkanov A.S.
14 April 2024Elsevier B.V.
Separation and Purification Technology
2024#334
In this work, we report the results of the systematic studies of the interactions between boron and phosphorous impurities in silicon matrix and transitional metals (TM) co-dopants: iron, cobalt, and nickel. Calculations results demonstrate the favorability of the stable pairs of substitutional boron and phosphorous defects. Calculated energies of the formation of substitutional and interstitial TM defects explain the high solubility and mobility of this kind of impurity. The simulations also reveal reciprocal affinity between B, P, and TM impurities that leads to the migration of metal atoms toward boron and phosphorous defects. Redistribution of the charge density caused by the presence of TM in the neighboring position leads to a significant decrease in the energy cost for the migration of B and P substitutional impurities to the interstitial void.
Boron , Gettering , Impurities , Phosphorous , Silicon
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College of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing, 210037, China
Institute of Physics and Technology, Satbayev University, Ibragimova Str. 11, Almaty, 050013, Kazakhstan
National Academy of Sciences of the Kazakhstan under the President of the Republic of Kazakhstan, Shevchenko Str. 28, Almaty, 050010, Kazakhstan
National Nanotechnology Laboratory of Open Type (NNLOT), Al-Farabi, Kazakh National University, Al-Farabi Avenue 71, Almaty, 050040, Kazakhstan
College of Science
Institute of Physics and Technology
National Academy of Sciences of the Kazakhstan under the President of the Republic of Kazakhstan
National Nanotechnology Laboratory of Open Type (NNLOT)
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