### Abstract

We computer generate a model of amorphous diamond using the Wooten-Weaire method, with fourfold coordination everywhere. We investigate two models: one where four-membered rings are allowed and the other where the four-membered rings are forbidden; each model consisting of 4096 atoms. Starting from the perfect diamond crystalline structure, we first randomize the structure by introducing disorder through random bond switches at a sufficiently high temperature. Subsequently, the temperature is reduced in stages, and the topological and geometrical relaxation of the structure takes place using the Keating potential. After a long annealing process, a random network of comparatively low energy is obtained. We calculate the pair distribution function, mean bond angle, rms angular deviation, rms bond length, rms bond-length deviation, and ring statistics for the final relaxed structures. We minimize the total strain energy by adjusting the density of the sample. We compare our results with similar computer-generated models for amorphous silicon, and with experimental measurement of the structure factor for (predominantly tetrahedral) amorphous carbon.

Original language | English (US) |
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Pages (from-to) | 5685-5689 |

Number of pages | 5 |

Journal | Physical Review B |

Volume | 52 |

Issue number | 8 |

DOIs | |

State | Published - Jan 1 1995 |

### ASJC Scopus subject areas

- Condensed Matter Physics

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## Cite this

*Physical Review B*,

*52*(8), 5685-5689. https://doi.org/10.1103/PhysRevB.52.5685