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Intercalation of Au Atoms into SiC(0001)/Buffer Interfaces–A First-Principles Density Functional Theory Study
[Image: see text] The process of Au intercalation into a SiC/buffer interface has been theoretically investigated here by using density functional theory (DFT) and the nudged elastic band (NEB) method. Energy barriers were at first calculated (using NEB) for the transfer of an Au atom through a free...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7315569/ https://www.ncbi.nlm.nih.gov/pubmed/32596622 http://dx.doi.org/10.1021/acsomega.0c01985 |