Effect of N, C, and B interstitials on the structural and magnetic properties of alloys with Cu_{3}Au structure
High-throughput density functional calculations are used to investigate the effect of interstitial B, C, and N atoms on 21 alloys reported to crystallize in the cubic Cu_{3}Au structure. It is shown that the interstitials can have a significant impact on the magnetocrystalline anisotropy energy (MAE...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2020-05-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.023134 |