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First-principles quantum molecular dynamics study of Ti(x)Zr(1−x)N(111)/SiN(y) heterostructures and comparison with experimental results
The heterostructures of five monolayers B1–Ti(x)Zr(1−x)N(111), x = 1.0, 0.6, 0.4 and 0.0 (where B1 is a NaCl-type structure) with one monolayer of a Si(3)N(4)-like Si(2)N(3) interfacial layer were investigated by means of first-principles quantum molecular dynamics and a structure optimization proce...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Taylor & Francis
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5090419/ https://www.ncbi.nlm.nih.gov/pubmed/27877668 http://dx.doi.org/10.1088/1468-6996/15/2/025007 |