Ab initio simulation of diamond epitaxial growth on copper
| Autor: | V.G. Zavodinsky |
|---|---|
| Rok vydání: | 2006 |
| Předmět: |
General Computer Science
Condensed matter physics Ab initio General Physics and Astronomy Diamond chemistry.chemical_element General Chemistry engineering.material Epitaxy Copper Computational Mathematics Crystallography chemistry Mechanics of Materials Ab initio quantum chemistry methods Chemical affinity engineering General Materials Science Density functional theory Diamond cubic |
| Zdroj: | Computational Materials Science. 36:139-142 |
| ISSN: | 0927-0256 |
| DOI: | 10.1016/j.commatsci.2005.02.015 |
| Popis: | Density functional theory calculations show that epitaxial diamond films can be grown on copper substrates due to small mismatches in the copper and diamond lattice parameters and to the absence of their chemical affinity. The mean cohesive energy for 〈1 0 0〉 films is larger than that for 〈1 1 1〉 films. However, the 〈1 1 1〉 films are more stable than the 〈1 0 0〉 ones in respect to separation from the copper substrate. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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