Simulation of XRD, Raman and IR spectrum for phase identification in doped HfO2 and ZrO2
Fluorite-structured hafnium and zirconia require different, complementary characterization methods to identify the numerous metastable phases. This is because of the many possible positions of the oxygen ions, which are difficult to observe directly. Ab initio simulations are useful to probe the cor...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2022-11-01
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| Series: | Frontiers in Nanotechnology |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fnano.2022.1026286/full |