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Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si

Lookup NU author(s): Dr Chihak Ahn

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Abstract

We studied codoping effects in silicon using first-principles calculations, with particular attention to charge compensation, Coulomb interactions, and strain compensation. We find that for B-doped systems, As or Sb counter doping reduces the maximum hole concentration, but that due to strong binding of multiple P atoms, Ga or In counter doping can increase electron density in heavily P-doped material. For acceptor-acceptor pairing, we find the B-B interaction to be repulsive as expected due to Coulombic effects, but calculations show a surprisingly significant attractive binding between B and In, which we attribute to hole localization. However, B-In binding is not promising for enhancing hole concentration since BIn pairs are deep acceptors.

Publication metadata

Author(s): Ahn C, Dunham ST

Publication type: Article

Publication status: Published

Journal: Journal of Applied Physics

Year: 2007

Volume: 102

Issue: 12

ISSN (print): 0021-8979

ISSN (electronic): 1089-7550

Publisher: American Institute of Physics

URL: http://dx.doi.org/10.1063/1.2824942

DOI: 10.1063/1.2824942

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