FP-LAPW investigation of electronic, magnetic, elastic and thermal properties of Fe-doped zirconium nitride
Full Potential- Linear Augmented Plane Wave (FP-LAPW) method has been employed to study the electronic, magnetic, elastic and thermal properties of Fe-doped Zirconium nitride. In this work, Fe-atoms were doped into the super cell of ZrN in doping concentrations of 12.5%, 25% and 37.5% to replace Zr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4879798 |