Competing Phases of HfO_{2} from Unstable Flat Phonon Bands of an Unconventional High-Symmetry Structure.
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DOI: 10.1103/9759-kp38
Abstract: We carry out first-principles calculations to demonstrate that the complex energy landscape and competing phases of HfO_{2} can be understood from the four unstable flat phonon bands of an unconventional high-symmetry structure of HfO_{2} with… read more here.
Keywords: phonon; unstable flat; structure; competing phases ... See more keywords