Electronic Structures of Donor-Acceptor-Donor Trimer Codopants in Silicon

Abstract:

The total energies of donor-acceptor-donor D₂A trimer codopants (D = As and Sb, A = B, Al, Ga, In and Tl) in Si and their electronic geometrically stable structures were studied using ab initio calculations in order to propose new dopants for the formation of ultra shallow junctions with high carrier concentrations in the source/drain regions. The results of the calculations indicated that the trimer codopants were formed in Si and were stable. The trimer codopants are also able to activate the inactive complexes As₂V and Sb₂V by codoping acceptor atoms that occupy vacant sites. In particular, As₂Al, As₂Ga, Sb₂B and Sb₂Ga resulted in both shallower donor levels and higher solid solubility compared to traditional single donor atoms such as As and Sb.

• Periodical: Advanced Materials Research (Volume 216)
• Pages: 402-407
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.216.402
• Online since: March 2011
• Authors: Nobuo Kambara, Hiroyuki Kawanishi
• Keywords: Ab Initio Calculation, Co-Doping, Dopant Energy Level, DV-Xα, Electronic Structure, Semiconductor, Shallow Junctions, Silicon, Trimer Codopant, ULSI, VASP Code

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