Giant Spin-Splitting and its Origin in MHyPbX3 Hybrid Organic-Inorganic Perovskites
Abstract
The spin splitting is the most fundamental quantity to predict the promising avenue for spin-based applications. Herein, using first principle-based density functional calculations and the k.p model analysis, we unravel the giant spin-splitting of maximum value 364.9 meV and Rashba coefficient 1.78 eV Å in recently proposed ferroelectric MHyPbX3(MHy =CH3NH2NH2; X=Br, Cl). The exceptionally large framework distortion and is strongly noncentrosymmetric nature is the origin for this giant spin splitting these systems. Our mode decompose analysis reveals that the out of all the modes, Γ3− is the main responsible mode for this large framework distortion and this giant spin splitting. The maximum change in spin orbit coupling strength of four unique displacement for Pb atoms in Γ3− mode makes these system possible to manifest the significantly high spin splitting. Furthermore, the spin texture analysis shows the presence of highly persistence spin-texture near the VBM and CBM, which could provide the long carrier spin lifetimes through the persistent spin helix mechanism, and is highly desirable for novel applications, such as spin field effect transistors in spintronics.
Home Country
India
College
College of Arts and Sciences
Specialization
Physics
Faculty Sponsor
Inna Ponomareva
Presentation Type
Event
Giant Spin-Splitting and its Origin in MHyPbX3 Hybrid Organic-Inorganic Perovskites
The spin splitting is the most fundamental quantity to predict the promising avenue for spin-based applications. Herein, using first principle-based density functional calculations and the k.p model analysis, we unravel the giant spin-splitting of maximum value 364.9 meV and Rashba coefficient 1.78 eV Å in recently proposed ferroelectric MHyPbX3(MHy =CH3NH2NH2; X=Br, Cl). The exceptionally large framework distortion and is strongly noncentrosymmetric nature is the origin for this giant spin splitting these systems. Our mode decompose analysis reveals that the out of all the modes, Γ3− is the main responsible mode for this large framework distortion and this giant spin splitting. The maximum change in spin orbit coupling strength of four unique displacement for Pb atoms in Γ3− mode makes these system possible to manifest the significantly high spin splitting. Furthermore, the spin texture analysis shows the presence of highly persistence spin-texture near the VBM and CBM, which could provide the long carrier spin lifetimes through the persistent spin helix mechanism, and is highly desirable for novel applications, such as spin field effect transistors in spintronics.
