Hydrogen in crystalline and amorphous si
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F. Buda; G.L. Chiarotti; R. Car; M. Parrinello
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Article
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1991
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Elsevier Science
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English
โ 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