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The computed Hubbard U parameters for An dopants, in different oxidation state on Nd site and as tetravalent species on Zr site, in Nd2Zr2O7 pyrochlore. Values are in eV.
| Actinide | An (III) | An (IV) | An (IV) on Zr | An(V) |
|---|---|---|---|---|
| U | - | 1.7 | 2.3 | 2.2 |
| Np | - | 2.1 | 2.0 | 2.6 |
| Pu | 2.4 | 2.6 | 2.6 | |
| Am | 2.6 | 3.3 | 3.1 | - |
| Cm | 1.7 | 3.8 | 3.3 | - |
