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Experimental and theoretical studies of Si–CN bonds to eliminate interface states at Si/SiO2 interface

✍ Scribed by Osamu Maida; Akira Asano; Masao Takahashi; Hitoo Iwasa; Hikaru Kobayashi


Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
241 KB
Volume
542
Category
Article
ISSN
0039-6028

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✦ Synopsis


Cyanide treatment, which includes the immersion of Si in KCN solutions followed by a rinse, effectively passivates interface states at Si/SiO 2 interfaces by the reaction of CN À ions with interface states to form Si-CN bonds. X-ray photoelectron spectroscopy (XPS) measurements show that the concentration of the CN species in the surface region after the cyanide treatment is $0.25 at.%. Take-off angle-dependent measurements of the XPS spectra indicate that the concentration of the CN species increases with the depth from the Si/SiO 2 interface at least up to $2 nm when ultrathin SiO 2 layers are formed at 450 °C after the cyanide treatment. When the cyanide treatment is applied to metal-oxidesemiconductor (MOS) solar cells with hITO/SiO 2 /n-Sii structure, the photovoltage greatly increases, leading to a high conversion efficiency of 16.2% in spite of the simple cell structure with no pn-junction. Si-CN bonds are not ruptured by air mass 1.5 100 mW cm À2 irradiation for 1000 h, and consequently the solar cells show no degradation. Neither are Si-CN bonds broken by heat treatment at 800 °C performed after the cyanide treatment. The thermal and irradiation stability of the cyanide treatment is attributable to strong Si-CN bonds, whose bond energy is calculated to be 1 eV higher than that of the Si-H bond energy using a density functional method.


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