Pressure-Driven Polar Orthorhombic to Tetragonal Phase Transition in Hafnia at Room Temperature.

ABSTRACT: Oxides are legendary for their complex energy landscapes, sensitivity to external stimuli, and property control through chemical substitution. Of these, the binary oxide HfO₂ is one of the most fascinating because of the extraordinary number competing phases and opportunities to stabilize unique and useful properties. In this work, we combined synchrotron-based infrared absorbance and Raman scattering spectroscopies with diamond anvil cell techniques and first-principles calculations to explore the properties of polar orthorhombic hafnia (chemical formula HfO₂:xY, where x = 12%) under pressure. Compression drives this system to the tetragonal form above 22 GPa-quite different from the more conventional phase diagram derived from pressurization of monocli

SUBMITTER: Musfeldt JL 

PROVIDER: S-EPMC11905205 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature