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High-Throughput Inverse Design for 2D Ferroelectric Rashba Semiconductors.

Jiajia Chen¹, Kai Wu¹, Wei Hu¹

¹Department of Chemical Physics, Hefei National Research Center for Physical Sciences at the Microscale, Synergetic Innovation Center of Quantum Information and Quantum Physics, Anhui Center for Applied Mathematics, and School of Data Science, University of Science and Technology of China, Hefei, Anhui230026, China.

Journal of the American Chemical Society

|October 17, 2022

Summary

This summary is machine-generated.

Researchers discovered new 2D ferroelectric Rashba semiconductors for spintronics. These materials allow electric field control of spin texture, paving the way for advanced electronic devices.

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Area of Science:

Condensed Matter Physics
Materials Science
Spintronics

Background:

Achieving electric control of spin is a key challenge in spintronics.
Ferroelectric Rashba semiconductors offer potential for electrical manipulation of spin texture.

Purpose of the Study:

To identify novel two-dimensional (2D) ferroelectric Rashba semiconductors using inverse design.
To explore materials with electrically switchable spin textures for spintronic applications.

Main Methods:

Inverse design approach incorporating principles of the Rashba effect and ferroelectricity.
Screening of materials databases and high-throughput density functional theory calculations.
Identification of A2P2X6, ABP2X6, and AB crystal structures exhibiting both phenomena.

Main Results:

Identified 14 promising AB monolayer materials as 2D ferroelectric Rashba semiconductors.
These materials exhibit a pure Rashba effect at the conduction band minimum.
Demonstrated surmountable energy barriers for ferroelectric polarization, enabling electrical switching.

Conclusions:

The discovered 2D ferroelectric Rashba semiconductors possess ideal properties for spintronics.
Electrically reversible spin textures are achievable, making them suitable for next-generation spintronic devices.