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

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

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

Article's DOI: 10.1038/s41524-020-00450-z

Entity: Universitat Rovira i Virgili

Journal publication year: 2020

Publication Type: Journal Publications