Thermo-mechanical properties of cubic lanthanide oxides
This contribution investigates the effect of the addition of the Hubbard U parameter on the electronic structural and mechanical properties of cubic (C-type) lanthanide sesquioxides (Ln2O3). Calculated Bader's charges confirm the ionic character of LnO bonds in the C-type Ln2O3. Estimated struc...
| Main Authors: | , , , , , , , |
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| Format: | Journal Article |
| Published: |
Elsevier S.A.
2018
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| Online Access: | http://hdl.handle.net/20.500.11937/67497 |