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Ab initio molecular dynamics simulation of self-interstitial diffusion in silicon

✍ Scribed by Sahli, Beat; Fichtner, Wolfgang


Book ID
124171292
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
915 KB
Volume
72
Category
Article
ISSN
1098-0121

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Ab initio molecular-dynamics simulation
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Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Γ€x at four compositions x ΒΌ 0:2, 0.4, 0.5, and 0.6. We present results for the static structure factors, frequency spectra, and the electronic density of states. The re