First-principles calculations for the elastic properties of nanostructured superhard TiN∕SixNy superlattices
| Autor: | A.S. Rao, Sanwu Wang, Yaogen Shen, R. Gudipati, T. J. Bostelmann |
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| Rok vydání: | 2007 |
| Předmět: |
Materials science
Physics and Astronomy (miscellaneous) Condensed matter physics Superlattice chemistry.chemical_element Titanium nitride Condensed Matter::Soft Condensed Matter Shear modulus Condensed Matter::Materials Science chemistry.chemical_compound Silicon nitride chemistry Computational chemistry Ab initio quantum chemistry methods Physics::Accelerator Physics Elasticity (economics) Tin Nanoscopic scale |
| Zdroj: | Applied Physics Letters. 91:081916 |
| ISSN: | 1077-3118 0003-6951 |
| DOI: | 10.1063/1.2775039 |
| Popis: | The authors report the first-principles density-functional calculations for the structure and the elastic properties of superlattices containing nanoscale crystalline titanium nitride (TiN) and thin layer of silicon nitride. The authors found that the elastic properties are strongly dependent on the size of the components. Superlattices with TiN thickness smaller than 2.5nm have far smaller values of bulk and shear moduli than bulk crystalline TiN, while ∼3nm TiN can make the superlattice have the elastic properties close to those of crystalline TiN. |
| Databáze: | OpenAIRE |
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