Electronic Structures of X Level due to Indium-Carbon Dimers in Silicon

Abstract:

Electronic structures of silicon with carbon, indium, or indium-carbon dimers were calculated to investigate the interaction between indium and carbon in X center due to the indium-carbon dimers. Ab initio calculations were carried out mainly for basic Si₇₁H₆₀, C-Si₇₀H₆₀, In-Si₇₀H₆₀, and InC-Si₆₉H₆₀ clusters. The results showed that : (i) the X level was observed at E_HOMO + 0.42 eV in the InC-Si₆₉H₆₀ which was a little bit shallower than E_HOMO + 0.44 eV of the corresponding substitutional In in the In-Si₇₀H₆₀, (ii) dominant constituents of density of states of the X level were the partial densities of states of In and Si, and (iii) the X level had the antibonding nature between In and C.

• Periodical: Applied Mechanics and Materials (Volume 187)
• Pages: 205-209
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.187.205
• Online since: June 2012
• Authors: Hiroyuki Kawanishi, Yoshinori Hayafuji
• Keywords: Ab Initio Calculation, Co-Doping, Dimer Codopant, Dopant Energy Level, DV-Xα, Electronic Structure, Semiconductor, Shallow Junction, Silicon, ULSI

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