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Phase-Field Model of Electronic Antidoping.

Yin Shi¹, Guo-Dong Zhao¹, Ismaila Dabo¹

¹Department of Materials Science and Engineering, <a href="https://ror.org/04p491231">Pennsylvania State University</a>, University Park, Pennsylvania 16802, USA.

Physical Review Letters

|July 12, 2024

Summary

Charge carrier doping typically lowers resistance, but an antidoping effect dramatically increases it in some materials. This research models this effect in nickelates, explaining resistance states for neuromorphic computing.

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Area of Science:

Condensed Matter Physics
Materials Science
Nanotechnology

Background:

Charge carrier doping usually reduces material resistance.
A novel antidoping effect enhances resistance in specific materials.
This effect is crucial for developing synaptic memory devices for neuromorphic computing.

Purpose of the Study:

To develop a physical phase-field model for the antidoping effect.
To simulate and understand the voltage-driven resistance changes in hydrogenated perovskite nickelates.
To provide a foundation for modeling mesoscale phenomena in strongly correlated materials.

Main Methods:

Formulation of a physical phase-field model based on microscopic mechanisms.
Simulation of voltage-driven resistance changes in hydrogenated perovskite nickelates.
Quantitative comparison of simulation results with experimental data.

Main Results:

The model accurately reproduces experimentally observed treelike resistance states.
The resistance states are attributed to proton redistribution-induced local band gap enhancement.
Carrier blockage due to proton redistribution was identified as the key mechanism.

Conclusions:

The developed model successfully explains the antidoping phenomenon in perovskite nickelates.
The findings provide insights into mesoscale modeling of strongly correlated materials.
This research guides the design of new devices based on antidoping physics.