Diffusion of interstitial Hydrogen molecules in Crystalline Germanium and Silicon: Quantumchemical simulation

1Citations
Citations of this article
1Readers
Mendeley users who have this article in their library.
Get full text

Abstract

A theoretical modeling of the diffusivity of interstitial hydrogen molecules in germanium and silicon crystals has been carried out using quantumchemical method. It was established that the diffusion process of an interstitial hydrogen molecule is a thermally activated process over potential barrier that is additionally subjected to fluctuations caused by rotation of the hydrogen molecule. The calculated values of the activation energy ΔEa(Si)=0.79-0.83 eV, ΔEa(Ge)=0.58-0.63 eV and pre-exponential factor D0(Si)=7.4×10-4cm2s-1, D0(Ge)=6.5×10-4cm2s-1are in an excellent agreement with experimental ones and for the first time describe perfectly an experimental temperature dependence of hydrogen molecules diffusion constant in Si crystals (T=100-300 °C). The influence of hydrostatic pressure on the activation energy of diffusion has been analyzed also. © 2006 Elsevier Ltd. All rights reserved.

Author supplied keywords

Cite

CITATION STYLE

APA

Gusakov, V. (2006). Diffusion of interstitial Hydrogen molecules in Crystalline Germanium and Silicon: Quantumchemical simulation. Materials Science in Semiconductor Processing, 9(4-5 SPEC. ISS.), 531–535. https://doi.org/10.1016/j.mssp.2006.08.006

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free