自旋电子学
铁电性
半导体
拉希巴效应
凝聚态物理
反向
极化(电化学)
电场
密度泛函理论
自旋(空气动力学)
材料科学
化学
纳米技术
光电子学
物理
计算化学
量子力学
铁磁性
数学
几何学
物理化学
电介质
热力学
作者
Jiajia Chen,Kai Wu,Wei Hu,Jinlong Yang
摘要
A long-standing goal in spintronics is electric control of spin. Herein, we perform an inverse design to search for 2D ferroelectric Rashba semiconductors, whose spin texture can be precisely and readily reversed by switching ferroelectric polarization via the electric field. The inverse design involves defining and utilizing the design principles of the Rashba effect and ferroelectricity. After screening materials from a database based on the enabling design principles, we identify three potential types of structure that simultaneously possess the Rashba effect and ferroelectricity, including A2P2X6 type (space group P31m), ABP2X6 type (space group P3), and AB type (space group P3m1). By performing high-throughput density functional theory calculations of three types of structure and material screening by the optimizing design principles, we find that 14 AB monolayers are promising 2D ferroelectric Rashba semiconductors due to their pure Rashba effect in the conduction band minimum, thinnest 2D Rashba structure, and surmountable energy barriers for ferroelectric polarization. The electrically reversible spin texture makes ferroelectric Rashba semiconductors promising candidates for next-generation spintronics in the future.
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