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A Theoretical Study on the Fundamental Chemical Reactions in Titanium Plasma-Enhanced CVD

Published online by Cambridge University Press:  10 February 2011

K. Tsuda ,
K. Watanabe ,
Y. Ohshita  and
T. Takada
K. Tsuda
Affiliation:
Fundamental Res. Labs., NEC Corporation 34 Miyukigaoka, Tsukuba, Ibaraki, 305JAPAN, tsuda@exp.cl.nec.co.jp
K. Watanabe
Affiliation:
Silicon Systems Res. Labs., NEC Corporation 34 Miyukigaoka, Tsukuba, Ibaraki, 305, JAPAN
Y. Ohshita
Affiliation:
Silicon Systems Res. Labs., NEC Corporation 34 Miyukigaoka, Tsukuba, Ibaraki, 305, JAPAN
T. Takada
Affiliation:
Fundamental Res. Labs., NEC Corporation 34 Miyukigaoka, Tsukuba, Ibaraki, 305JAPAN, tsuda@exp.cl.nec.co.jp
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Abstract

The important intermediates in the Ti plasma-enhanced CVD using TiCl4/Ar/H2 are investigated by ab initio molecular orbital (MO) calculations. From the experimental point of view, it is pointed out that'TiCls is a key species for the Ti deposition reaction. So, its reactivity with the Si and SiO2 substrates is estimated theoretically from the stabilization energy. The difference of the stabilization energies of TiCl3 between them, which is 12.3kcal/mol in Hartree-Fock level calculations with using the on-top deposition reaction model, indicates a longer existing time by the factor of 102 on SiO2 than on Si. In addition to these calculations, the stabilization energies on the suicide substrates are also calculated and compared with the results on the Si and Si02 substrates. But other reaction paths may have to be considered because the growth rates of Ti thin films onto between Si and SiO2 don't necessarily coincide with the tendency of calculated results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 490: Symposium Q – Semiconductor Process & Device Performance Modeling , 1997 , 167
Copyright
Copyright © Materials Research Society 1998

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References

REFERENCES

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