Energetics and stability of nanostructured amorphous carbon

Details Energetics and stability of nanostructured amorphous carbon Energetics and stability of nanostructured amorphous carbon

2006-05-11

arxiv.org/abs/cond-mat/0605309v1

Physical Review B, 67, 035423 (2003)

Physics

Condensed Matter

Materials Science

11 pages, 7 figures

Scientific paper

10.1103/PhysRevB.67.035423

Monte Carlo simulations, supplemented by ab initio calculations, shed light into the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of the embedded nanocrystals with the host amorphous matrix is shown to determine in a large degree the stability and the relative energy differences among carbon phases. Diamonds are stable structures in matrices with sp^3 fraction over 60%. Schwarzites are stable in low-coordinated networks. Other sp^2-bonded structures are metastable.

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