ФТТ, 2003, том 45, выпуск 11
ФТТ, 2003, том 45, выпуск 11
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Capturing properties of three-fold coordinated silicon atom in silicon nitride: a positive correlation energy model
V.A.Gritsenko, Yu.N.Novikov, A.V.Shaposhnikov, HeiWong, G.M.Zhidomirov
Institute of Semiconductor Physics Siberian Branch of Russian Academy of Sciences,
630090 Novosibirsk, Russia
E-mail: grits@isp.nsc.ru
Department of Electronic Engineering, Hong Kong, China
Institute of Catalysis Siberian Branch of Russian Academy of Sciences,
630090 Novosibirsk, Russia
(Received 30 January 2003)
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Electronic structure and capturing properties of three-fold coordinated silicon atom () and the Si--Si bond in silicon nitride (SiN) were studied using the ab initio density functional theory. The results show that the previously proposed negative correlation energy (NCE) model is not applicable to SiN. The NCE model was proposed for interpreting the absence of the ESR signal for three-fold coordinated silicon defects and suggested that an electron can transfer between two silicon defects. We proposed that the absence of this ESR signal is due to the creation of neutral diamagnetic Si--Si defects in SiN. This model offers the most fundamental theory for explaining the hole localization (memory) effect in silicon nitride. This work is partially supported by research project N 7001134 of City U. |
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