Comparison of bonding in amorphous silicon and carbon
- 1 June 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 55 (21) , 14059-14062
- https://doi.org/10.1103/physrevb.55.14059
Abstract
We present detailed calculations using the total energy pseudopotential method of relaxed amorphous structures at various densities formed metastably in silicon and carbon. These calculations show a number of interesting features: fivefold coordination of atoms in silicon but not in carbon, bond lengths in carbon increased at reduced volume, with the opposite trend in silicon, and three-center orbitals in carbon. Also, the energy is nearly independent of volume in carbon, suggesting that properties of amorphous carbon will depend strongly on the growth process.Keywords
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