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Recently synthesized (Ti(1−x)Mo(x))(2)AlC (0 ≤ x ≤ 0.20) solid solutions: deciphering the structural, electronic, mechanical and thermodynamic properties via ab initio simulations
The structural, electronic, mechanical and thermodynamic properties of (Ti(1−x)Mo(x))(2)AlC (0 ≤ x ≤ 0.20) were explored using density functional theory. The obtained lattice constants agree well with the experimental values. The electronic band structure confirms the metallic nature. Strengthening...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056384/ https://www.ncbi.nlm.nih.gov/pubmed/35520673 http://dx.doi.org/10.1039/d0ra06435a |