Characteristic features of the IR spectra of amorphous boron-doped hydrated silicon

Kurova, I. A.; Belogorokhova, L. I.; Belogorokhov, A. I.

doi:10.1134/1.1187439

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“…Characteristic IR spectra were observed in some unsaturated silicon−boron systems from the boron-doped Si:H films deposited at a hydrogen flow, and used as experimental identification of the bridged hydrogen bonding structure . Similar infrared absorption spectra for boron doped silicon films have been reported. ,, A sample of amorphous silicon film doped with boron shows absorption at two regions (1850∼2250 cm -1 ) . In these regions, both frequencies and intensities of the observed peaks are in good agreement with the corresponding calculated values of the complex SiH 4 −BH 3 .…”

Section: Resultssupporting

confidence: 72%

“…65 Similar infrared absorption spectra for boron doped silicon films have been reported. 6,66,67 A sample of amorphous silicon film doped with boron shows absorption at two regions (1850∼2250 cm -1 ). 6 In these regions, both frequencies and intensities of the observed peaks are in good agreement with the corresponding calculated values of the complex SiH 4 -BH 3 .…”

Section: Resultsmentioning

confidence: 99%

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Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals

Kim

Tarakeshwar

et al. 2002

J. Phys. Chem. A

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We have investigated a new type of interaction between silane (SiH4) and borane (BH3) using high level ab initio calculations. The SiH4−BH3 complex is found to be extremely stable with the formation of a bridged hydrogen bond between SiH4 and BH3. Hence, it might have a hitherto unknown role in the mechanism of chemical vapor deposition (CVD), which is employed in the fabrication of boron doped silicon semiconductor materials. In an attempt to unravel this role and the underlying reasons responsible for the stability of this complex, we have carried out a detailed analysis based on the structure and molecular orbitals. The results indicate that the binding strength and electronic character of the bridged hydrogen bond in the SiH4−BH3 complex is between those observed in double hydrogen bridged B2H6 and mono-hydrogen bridged anion B2H7 -. In contrast to B2H6 and B2H7 -, it should be noted that the complex is stabilized by direct strong electrostatic interaction between the positively charged Si atom and the negatively charged B atom as well as by monobridged hydrogen bonding. Furthermore, we also note that the SiH4−BH3 complex would dissociate to form SiH3 • and BH4 • radicals. The existence of this complex is also inferred from good agreement between the calculated IR spectra and experimentally observed spectra of thin solid films of boron doped silicon semiconductor materials.

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Section: Resultssupporting

confidence: 72%

Section: Resultsmentioning

confidence: 99%

Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals

Kim

Tarakeshwar

et al. 2002

J. Phys. Chem. A

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show abstract

Characteristic features of the IR spectra of amorphous boron-doped hydrated silicon

Cited by 1 publication

References 5 publications

Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals

Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals

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Characteristic features of the IR spectra of amorphous boron-doped hydrated silicon

Cited by 1 publication

References 5 publications

Insights into the Nature of SiH4−BH3Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH3•and BH4•Radicals

Insights into the Nature of SiH4−BH3Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH3•and BH4•Radicals

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Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals

Insights into the Nature of SiH₄−BH₃Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH₃^•and BH₄^•Radicals