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Modeling Boron and Indium Electrical Activities in Silicon in the Presence of Nitrogen

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Abstract

The ab initio pseudopotential code (VASP) was employed to explore indium and boron electrical activities in silicon in the presence of nitrogen. Electrical activities for the combinations B+N, In+N, and In+B+N were explored. Formation energy of a negatively charged supercell, (E-)f, and a band gap, Eg, from calculations with one k point were chosen as indicators of acceptor activity. For separate dopants the calculated (E-)f and Eg values indicate that substitutional B and In are effective acceptors and N is an extremely weak donor. When nitrogen is adjacent to, or separated 3 - 5 bonds from B or In, it suppresses acceptor activity. Binding is greater for In+N than for B+N in agreement with secondary ion mass spectroscopy (SIMS) data that demonstrates a greater retention of N by In. This should lead to a greater drop in activity for In+N combination versus B+N one, in agreement with spreading resistance profiling (SRP) experiments. Loss of activity in In+B+N combination might be due to long range interactions between dopants.

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Authors and Affiliations

  1. LSI Logic Corporation, 3115 Alfred Street, Santa Clara, CA, 95054, USA

    Vladimir Zubkov, Sheldon Aronowitz & Helmut Puchner

  2. Department of Materials Science and Engineering, Stanford Unversity, Stanford, CA, 94305, USA

    Juan P. Senosiain

Authors
  1. Vladimir Zubkov
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  2. Sheldon Aronowitz
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  3. Helmut Puchner
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  4. Juan P. Senosiain
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Zubkov, V., Aronowitz, S., Puchner, H. et al. Modeling Boron and Indium Electrical Activities in Silicon in the Presence of Nitrogen. MRS Online Proceedings Library 669, 65 (2001). https://doi.org/10.1557/PROC-669-J6.5

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  • DOI: https://doi.org/10.1557/PROC-669-J6.5

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