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Stability and structure of amorphous hydrogenated carbons: a molecular dynamic investigation

✍ Scribed by P. Blaudeck; Th. Frauenheim; G. Jungnickel; U. Stephan

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
323 KB
Volume
85
Category
Article
ISSN
0038-1098

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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