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Carbon under extreme conditions: Phase boundaries and electronic properties from first-principles theory

At high pressure and temperature, the phase diagram of elemental carbon is poorly known. We present predictions of diamond and BC8 melting lines and their phase boundary in the solid phase, as obtained from first-principles calculations. Maxima are found in both melting lines, with a triple point lo...

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Main Authors: Correa, Alfredo A., Bonev, Stanimir A., Galli, Giulia
פורמט: Artigo
שפה:Inglês
יצא לאור: National Academy of Sciences 2006
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC1345714/
https://ncbi.nlm.nih.gov/pubmed/16432191
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0510489103
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