Investigation of the structural competing and atomic ordering in Heusler compounds Fe2NiSi and Ni2FeSi under strain condition
The structural competing and atomic ordering of the full Heusler compounds Fe2NiSi and Ni2FeSi under uniform and tetragonal strains have been systematically studied by the first-principles calculation. Both Fe2NiSi and Ni2FeSi have the XA structure in cubic phase and they show metallic band structur...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
The Royal Society
2019-09-01
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| Series: | Royal Society Open Science |
| Subjects: | |
| Online Access: | https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.191007 |