Doped HfOx Nanoclusters: Polar and Resistive Switching in the Smallest Functional Units

Author:

Rushchanskii Konstantin Z.1ORCID,Ležaić Marjana1,Blügel Stefan1

Affiliation:

1. Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1) Forschungszentrum Jülich and JARA-FIT 52425 Jülich Germany

Abstract

In the study presented in this article, the impact of proton doping on the structural and electronic properties of hafnium oxide nanoclusters is investigated, with a focus on their potential for use in resistive and polar switching devices. In the results, it is shown that the incorporation of protons can stabilize the cage‐like crystalline structures of clusters, leading to reversible changes in electronic properties by varying oxygen stoichiometry. However, the full coverage of hafnia atoms by hydrogen removes in‐gap states, highlighting the importance of controlled moisture content in redox‐based memristive devices and neuromorphic units. In addition, in this study, the polar properties of these clusters are explored, illustrating possible polar switching in metastable pure , low‐barrier antiferroelectric‐like switching in carbon‐stabilized , and low‐barrier polar switching in . In these findings, the potential of clusters is revealed as active components for next‐generation high‐capacity nonvolatile electronic memory and beyond von Neumann computing in sub‐nanometer scale.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Materials Chemistry,Electrical and Electronic Engineering,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

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