First-principles study on the preferential sites of Cr in Co7W6
The preferential sites of Cr in the μ -Co _7 W _6 phase and its influence on electronic properties were studied by first-principles calculations based on density functional theory. The calculation results of the formation energy and defect formation energy show that the stability of the system is en...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/aca5ef |