Abstract
We demonstrate that the three-dimensional (3D) binary monoclinic oxides HfO 2 and ZrO 2 exhibit quasi-2D polaron localization and conductivity, which results from a small difference in the coordination of two oxygen sublattices in these materials. The transition between a 2D large polaron into a zero-dimensional small polaron state requires overcoming a small energetic barrier. These results demonstrate how a small asymmetry in the lattice structure can determine the qualitative character of polaron localization and significantly broaden the realm of quasi-2D polaron systems.
Original language | American English |
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Article number | Article No. 116403 |
Number of pages | 5 |
Journal | Physical Review Letters |
Volume | 108 |
Issue number | 11 |
DOIs | |
State | Published - 2012 |
NREL Publication Number
- NREL/JA-5900-55000
Keywords
- binary monoclinic oxides
- conductivity
- HfO2
- ZrO2