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Structural transformation and bandgap engineering by doping Pr in HfO2 nanoparticles

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Abstract Here, we have stabilized the high-temperature cubic phase of HfO2 at room temperature (RT) with doping Pr up to 15 at%. While monoclinic phase remains stable below 7 at%,… Click to show full abstract

Abstract Here, we have stabilized the high-temperature cubic phase of HfO2 at room temperature (RT) with doping Pr up to 15 at%. While monoclinic phase remains stable below 7 at%, coexistence of monoclinic and cubic phases is observed between 7 and 13 at% of Pr. Such transformation is confirmed from Raman spectroscopy and transmission electron microscopy. With doping, while particle size is reduced from 35 to 10 nm accompanied with enhanced strain estimated from Williamson-Hall plots, the bandgap decreases from 5.42 to 5.06 eV due to non-stoichiometric HfO2−x and formation of sub-bands near conduction band. Such exciting results are discussed on the basis of enhanced oxygen vacancies inducing 8-fold oxygen coordinated Pr3+ ions in lattice that stabilize cubic phase of HfO2.

Keywords: transformation bandgap; transformation; hfo2; structural transformation; bandgap engineering

Journal Title: Materials Letters
Year Published: 2021

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