Metastable VO₂ Complexes in Silicon: Experimental and Theoretical Modeling Studies

Abstract:

We report on a combined experimental and theoretical study of the metastable form of the vacancy-dioxygen defect in Si labeled VO∗ 2. Important new experimental observations are the detection of mixed local vibrational modes of VO∗ 2 in 16O,18O co-doped samples, the determination of the position of LVM bands for the negatively charged defect, and an assignment of an acceptor level at about Ec − 0.05 eV. Defect energetics, electrical levels and LVM frequencies of the VO∗ 2 complex are also investigated by ab-initio density-functional modeling.We find it to be a bistable defect which accounts well for the experimental data. The metastable form produces an acceptor state at 0.05 eV below Ec, and can be thought of as a VO defect perturbed by interstitial oxygen.

• Periodical: Solid State Phenomena (Volumes 108-109)
• Pages: 223-228
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.108-109.223
• Online since: December 2005
• Authors: L.I. Murin, J. Lennart Lindström, Vladimir P. Markevich, I.F. Medvedeva, Vitor Torres, J. Coutinho, R. Jones, Patrick R. Briddon
• Keywords: Modeling, Silicon, Vacancy Dioxygen, Vibrational Mode

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