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First-Principles Study on the Electronic and Mechanical Properties of the Cr(001)/Al(001) Structure
[Image: see text] We utilized spin-polarized density functional theory to analyze the properties of the Cr(001)/Al(001) structure. The interface was classified into three forms—bcc, bridge, and top—based on the bonding coordinates between Cr and Al atoms. The total density of states (DOS) of the str...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10652817/ https://www.ncbi.nlm.nih.gov/pubmed/38024746 http://dx.doi.org/10.1021/acsomega.3c05827 |