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Structural and Electronic Properties of Amorphous Carbon

✍ Scribed by Galli, Giulia; Martin, Richard M.; Car, Roberto; Parrinello, Michele


Book ID
118169877
Publisher
The American Physical Society
Year
1989
Tongue
English
Weight
191 KB
Volume
62
Category
Article
ISSN
0031-9007

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## Abstract A series of carbon nitride structures have been generated, by using a classical potential in a Metropolis Monte Carlo liquid quench procedure. The resulting structures are relaxed further using the density functional theory approach. Structures are generated for various mass densities a