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...

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Detalles Bibliográficos
Autores principales: Ivashchenko, Volodymyr, Veprek, Stan, Pogrebnjak, Alexander, Postolnyi, Bogdan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2014
Materias:
Papers
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

Internet

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

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