DFT insights into the structural, mechanical, electronic, optical, and thermal properties of Cr2AC (A = Si, Al, Ga, Ge, and P) MAX phases carbides
This work examines the structural, electronic, mechanical, optical, and thermal properties of Cr2AC (A = Si, Al, Ga, Ge, and P) MAX phases using density functional theory. These properties are investigated through first-principles calculations within the generalized gradient approximation using the...
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| Автори: | , , , , , , , , , |
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| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
AIP Publishing LLC
2024-12-01
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| Серія: | AIP Advances |
| Онлайн доступ: | http://dx.doi.org/10.1063/5.0234895 |
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