Abstract
We have performed ab-initio Hartree-Fock molecular orbital calculations of local atomic structures and chemical bonding states in Si-N covalent amorphous ceramics. Solute elements such as boron, carbon and oxygen were considered in the Si-N network, and the bonding characteristics around the solute elements were analyzed. When a nitrogen atom is substituted by a carbon atom, it was found that Si-C bonds reinforce the Si-N network due to strong covalency.
| Original language | English |
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| Pages (from-to) | 567-571 |
| Number of pages | 5 |
| Journal | Materials Research Society Symposium Proceedings |
| Volume | 538 |
| Publication status | Published - 1999 |
| Event | Proceedings of the 1998 MRS Fall Meeting - The Symposium 'Advanced Catalytic Materials-1998' - Boston, MA, USA Duration: 1998 Nov 30 → 1998 Dec 3 |