有机金属卤化物钙钛矿 CH3NH3PbBr3 的各向异性Rashba效应.

This study conducted an in-depth investigation on the anisotropic Rashba effect in the perovskite CH3NH3PbBr3 by combining density functional theory with relativistic pseudopotentials. It was discovered that the distortion of the Pb—Br octahedra resulted in the splitting of the triplet states at the conduction band minimum due to the spin-orbit coupling (SOC) effect and lattice deformation, leading to strong anisotropy in different directions. The maximum coefficient of Rashba band splitting reached 2.0 eVA, and the mechanism of the Rashba effect formation was explained through the analysis of energy levels and charge density distribution. These research findings contribute to a deeper understanding of the properties of CH3NH3PbBr3 and provide a theoretical basis for its potential applications in the field of spintronics. [ABSTRACT FROM AUTHOR]