New Superhard Phases for 3D C60-based Fullerites

Preprint

14 July 2000

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0007247

Abstract

We have explored new possible phases of 3D C60-based fullerites using semiempirical potentials and ab-initio density functional methods. We have found three closely related structures - two body centered orthorhombic and one body centered cubic - having 52, 56 and 60 tetracoordinated atoms per molecule. These 3D polymers result in semiconductors with bulk moduli near 300 GPa, and shear moduli around 240 GPa, which make them good candidates for new low density superhard materials.

Keywords

C60 BASED FULLERITES
PHASES FOR 3D
3D C60 BASED
SUPERHARD
AB INITIO

All Related Versions

Version 1, 2000-07-14, ArXiv
Published version: Physical Review Letters, 85 (11), 2328.

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