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Migration of atomic hydrogen in crystalline and amorphous SiO2: a molecular dynamics study

✍ Scribed by A. Bongiorno; L. Colombo; M.I. Trioni


Book ID
117148321
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
402 KB
Volume
216
Category
Article
ISSN
0022-3093

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Hydrogen in crystalline and amorphous si
✍ F. Buda; G.L. Chiarotti; R. Car; M. Parrinello πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 520 KB

Structural and dynamical properties of hydrogen in crystalline and amorphous silicon are analyzed by ab initio molecular dynamics simulations. In the crystalline casc we focus mainly on the diffusion process of an isolated positively charged hydrogen impurity at high temperature, finding important d