Piezoelectricity in hafnia

Authors

Sangita Dutta, Luxembourg Institute of Science and Technology
Pratyush Buragohain, University of Nebraska-Lincoln
Sebastjan Glinsek, Luxembourg Institute of Science and Technology
Claudia Richter, NaMLab gGmbH
Hugo Aramberri, Luxembourg Institute of Science and Technology
Haidong Lu, University of Nebraska-LincolnFollow
Uwe Schroeder, NaMLab gGmbH
Emmanuel Defay, Luxembourg Institute of Science and Technology
Alexei Gruverman, University of Nebraska-LincolnFollow
Jorge Íñiguez, Luxembourg Institute of Science and Technology,

Date of this Version

12-15-2021

Citation

NATURE COMMUNICATIONS | (2021) 12:7301 | https://doi.org/10.1038/s41467-021-27480-5

Comments

Open access

Abstract

Because of its compatibility with semiconductor-based technologies, hafnia (HfO₂) is today’s most promising ferroelectric material for applications in electronics. Yet, knowledge on the ferroic and electromechanical response properties of this all-important compound is still lacking. Interestingly, HfO₂ has recently been predicted to display a negative longitudinal piezoelectric effect, which sets it apart from classic ferroelectrics (e.g., perovskite oxides like PbTiO₃) and is reminiscent of the behavior of some organic compounds. The present work corroborates this behavior, by first-principles calculations and an experimental investigation of HfO₂ thin films using piezoresponse force microscopy. Further, the simulations show how the chemical coordination of the active oxygen atoms is responsible for the negative longitudinal piezoelectric effect. Building on these insights, it is predicted that, by controlling the environment of such active oxygens (e.g., by means of an epitaxial strain), it is possible to change the sign of the piezoelectric response of the material.