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First principles study of M2InC (M = Zr, Hf and Ta) MAX phases: The effect of M atomic species
We have studied the physical properties of M2InC (M = Zr, Hf and Ta) MAX phases ternary carbides using density functional theory (DFT) methodology. The structural, elastic and electronic properties are revisited (and found to be in good agreement with recently reported results). The charge density d...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2018-12-01
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| Colecção: | Results in Physics |
| Acesso em linha: | http://www.sciencedirect.com/science/article/pii/S2211379718319156 |
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