| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10726868 | Physics Letters A | 2012 | 7 Pages |
Abstract
⺠Ab initio full potential quantum mechanical study of rare gases in uranium dioxide. ⺠Octahedral interstitial and oxygen and uranium substitution sites are considered. ⺠Anti-ferromagnetic UO2 phase with and without spin-orbit coupling are considered. ⺠Lattice constants and formation energies increase with the rare gasesʼ radii. ⺠The octahedral interstitial position is the most favorable occupation site.
Related Topics
Physical Sciences and Engineering
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Authors
Li Ma, Asok K. Ray,