Abstract
The hybrid organic–inorganic perovskites (HOIPs) have attracted much attention for their potential applications as novel optoelectronic devices. Remarkably, the Rashba band splitting, together with specific spin orientations in k-space (i.e., spin texture), has been found to be relevant for the optoelectronic performances. In this work, by using first-principles calculations and symmetry analysis, we study the electric polarization, magnetism, and spin texture properties of the antiferromagnetic (AFM) ferroelectric HOIP TMCM-MnCl3 (TMCM = (CH3)3NCH2Cl+, trimethylchloromethyl ammonium). This recently synthesized compound is a prototype of order–disorder and displacement-type ferroelectric with a large piezoelectric response, high ferroelectric transition temperature, and excellent photoluminescence properties as reported by You (Science 357:306, 2017). The most interesting result is that the inversion symmetry breaking coupled to the spin–orbit coupling gives rise to a Rashba-like band splitting and a related robust persistent spin texture (PST) and/or typical spiral spin texture, which can be manipulated by tuning the ferroelectric or, surprisingly, also by the AFM order parameter. The tunability of spin texture upon switching of AFM order parameter is largely unexplored and our findings not only provide a platform to understand the physics of AFM spin texture but also support the AFM HOIP ferroelectrics as a promising class of optoelectronic materials.
Highlights
The past few years witnessed the extremely rapid development of hybrid organic–inorganic perovskites (HOIPs), which have been shown to be promising optoelectronic materials[1,2,3,4,5]
When lacking spatial inversion symmetry, the spin–orbit coupling (SOC) leads to an effective momentum-dependent magnetic field ~Ωð~kÞ acting on the spin ~σ and the effective SOC Hamiltonian can be written as HSO 1⁄4 ~Ωð~kÞÁ~σ 16,17
Our results indicate that not “Methods.” To simulate the antiferroelectric (AFE)–FE transition, only the electric and the magnetic field can effectively be we fix two organic cations and rotate the other two cations by used to manipulate the spin textures even in AFM but polar HOIP materials such as TMCM-MnCl3
Summary
The past few years witnessed the extremely rapid development of hybrid organic–inorganic perovskites (HOIPs), which have been shown to be promising optoelectronic materials[1,2,3,4,5]. Our results indicate that not “Methods.” To simulate the antiferroelectric (AFE)–FE transition, only the electric and the magnetic field can effectively be we fix two organic cations and rotate the other two cations by used to manipulate the spin textures even in AFM but polar HOIP materials such as TMCM-MnCl3.
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