Stable Structures of Donor-Acceptor-Donor Trimer Codopants in 4H-SiC

Naoyuki Nishio; Masanori Miyata; Yoshinori Hayafuji

doi:10.4028/www.scientific.net/AMR.718-720.37

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 718-720Stable Structures of Donor-Acceptor-Donor Trimer...

Stable Structures of Donor-Acceptor-Donor Trimer Codopants in 4H-SiC

Abstract:

The total energies of 4H-SiC with donor-acceptor-donor (D₂A) trimer codopants (D = N, P, As, and Sb, A = B, Al, Ga, and In), the formation energies of D₂A, DA, D, and A species and the binding energies were studied using ab initio calculations in order to determine the stable structures of D₂A trimer codopants in 4H-SiC. The results of the calculations indicated that some of the trimer codopants were formed and were stable in 4H-SiC. In particular, N₂Al, N₂Ga and N₂In trimer codopants with N(C_h)-Al/Ga/In (Si_k)-N(C_h) configuration and As₂B trimer codopants with As (Si_h)-B(C_k)-As (Si_h) configuration stably exist in 4H-SiC under the doping condition wherein the concentration ratio of donors to acceptors is 2 : 1.

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Periodical:

Advanced Materials Research (Volumes 718-720)

Pages:

37-41

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.718-720.37

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Online since:

July 2013

Authors:

Naoyuki Nishio, Masanori Miyata, Yoshinori Hayafuji

Keywords:

4H-SiC, Ab Initio Calculation, Binding Energy, Co-Doping, Ionization Energy, Semiconductor, Stable Structure, Trimer Codopant, VASP Code

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