Articles producció científica> Química Física i Inorgànica

Switchable Rashba anisotropy in layered hybrid organic–inorganic perovskite by hybrid improper ferroelectricity

  • Identification data

    Identifier: imarina:9138947
    Authors:
    Wang FGao Hde Graaf CPoblet JMCampbell BJStroppa A
    Abstract:
    © 2020, The Author(s). Hybrid organic–inorganic perovskites (HOIPs) are introducing exotic directions in the photovoltaic materials landscape. The coexistence of inversion symmetry breaking and spin–orbit interactions play a key role in their optoelectronic properties. We perform a detailed study on a recently synthesized ferroelectric layered HOIP, (AMP)PbI4 (AMP = 4-aminomethyl-piperidinium). The calculated polarization and Rashba parameters are in excellent agreement with experimental values. Moreover, we report a striking effect, i.e., an extraordinarily large Rashba anisotropy that is tunable by ferroelectric polarization: as polarization is reversed, not only the spin texture chirality is inverted, but also the major and minor axes of the Rashba anisotropy ellipse in k-space are interchanged—a pseudo rotation. A k·p model Hamiltonian and symmetry-mode analysis reveal a quadrilinear coupling between the cation-rotation modes responsible for the Rashba ellipse pseudo-rotation, the framework rotation, and the polarization. These findings may provide different avenues for spin-optoelectronic devices such as spin valves or spin FETs.
  • Others:

    Author, as appears in the article.: Wang F; Gao H; de Graaf C; Poblet JM; Campbell BJ; Stroppa A
    Department: Química Física i Inorgànica
    e-ISSN: 2057-3960
    URV's Author/s: De Graaf, Cornelis / Poblet Rius, Josep Maria
    Abstract: © 2020, The Author(s). Hybrid organic–inorganic perovskites (HOIPs) are introducing exotic directions in the photovoltaic materials landscape. The coexistence of inversion symmetry breaking and spin–orbit interactions play a key role in their optoelectronic properties. We perform a detailed study on a recently synthesized ferroelectric layered HOIP, (AMP)PbI4 (AMP = 4-aminomethyl-piperidinium). The calculated polarization and Rashba parameters are in excellent agreement with experimental values. Moreover, we report a striking effect, i.e., an extraordinarily large Rashba anisotropy that is tunable by ferroelectric polarization: as polarization is reversed, not only the spin texture chirality is inverted, but also the major and minor axes of the Rashba anisotropy ellipse in k-space are interchanged—a pseudo rotation. A k·p model Hamiltonian and symmetry-mode analysis reveal a quadrilinear coupling between the cation-rotation modes responsible for the Rashba ellipse pseudo-rotation, the framework rotation, and the polarization. These findings may provide different avenues for spin-optoelectronic devices such as spin valves or spin FETs.
    Thematic Areas: Modeling and simulation Mechanics of materials Materials science, multidisciplinary Materials science (miscellaneous) Materials science (all) General materials science Computer science applications Chemistry, physical
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: coen.degraaf@urv.cat josepmaria.poblet@urv.cat
    Author identifier: 0000-0001-8114-6658 0000-0002-4533-0623
    Record's date: 2023-02-23
    Papper version: info:eu-repo/semantics/publishedVersion
    Link to the original source: https://www.nature.com/articles/s41524-020-00450-z
    Papper original source: Npj Computational Materials. 6 (1):
    APA: Wang F; Gao H; de Graaf C; Poblet JM; Campbell BJ; Stroppa A (2020). Switchable Rashba anisotropy in layered hybrid organic–inorganic perovskite by hybrid improper ferroelectricity. Npj Computational Materials, 6(1), -. DOI: 10.1038/s41524-020-00450-z
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Article's DOI: 10.1038/s41524-020-00450-z
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2020
    Publication Type: Journal Publications
  • Keywords:

    Chemistry, Physical,Computer Science Applications,Materials Science (Miscellaneous),Materials Science, Multidisciplinary,Mechanics of Materials,Modeling and Simulation
    Modeling and simulation
    Mechanics of materials
    Materials science, multidisciplinary
    Materials science (miscellaneous)
    Materials science (all)
    General materials science
    Computer science applications
    Chemistry, physical
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