Repeatable and reproducible formation/rupture of oxygen vacancy filaments in the vicinity of a polycrystalline HfO2 surface
We theoretically investigated the dynamics of oxygen vacancies (Vo’s) and the effect of changing their charge states by performing first-principles molecular dynamics simulations at a temperature of 1000 K. Calculations were performed for two structures of HfO2: a slab with (110) surfaces and a bulk...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5085443 |