Journal
APPLIED PHYSICS LETTERS
Volume 117, Issue 25, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0035139
Keywords
-
Categories
Funding
- JSPS KAKENHI [JP18058099]
- JST SICORP [20218786]
- KIOXIA
Ask authors/readers for more resources
We have investigated ferroelectric phase formation of Si-doped HfO2 through nucleation and phase transition in the thermal process by first-principles simulation. For the nucleation process from amorphous HfO2 in the thin film during thermal annealing, the tetragonal phase can be thermodynamically preferred with the effects of dopant and surface energy and temperature for which entropy is directly calculated from phonon spectrum calculations. During cooling down, the diffusionless phase transition from the tetragonal to ferroelectric phase takes place by atomic displacement and the transition to the monoclinic phase is suppressed by the high kinetic activation barrier. The phase transition process from the tetragonal phase to the ferroelectric phase is directly confirmed by ab initio molecular-dynamics simulation.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available