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Intrinsic Rashba Effect in Stable Configurations of Two-Dimensional (PEA)2PbI4.

Shahar Zuri1, Leeor Kronik2, Efrat Lifshitz1

  • 1Schulich Faculty of Chemistry, Solid State Institute, Russell Berrie Nanotechnology Institute, Helen Diller Quantum Information Center and the Grand Technion Energy Program, Technion, Haifa 3200003, Israel.

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Softness in halide perovskites (HPs) enables unique properties. This study reveals an intrinsic Rashba effect in 2D (PEA)2PbI4 crystals due to molecular orientation, opening doors for spintronic applications.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid-State Chemistry

Background:

  • Halide perovskites (HPs) exhibit unique softness, influencing their static and dynamic properties.
  • Two-dimensional (2D) HPs, like (PEA)2PbI4, are of interest due to their tunable optoelectronic characteristics.

Purpose of the Study:

  • To investigate the ground-state configurations and electronic properties of 2D (PEA)2PbI4.
  • To explore the origins of symmetry breaking and potential spin-related phenomena in these materials.

Main Methods:

  • Extensive density functional theory (DFT) calculations.
  • Structural analysis of various ground-state configurations.

Main Results:

  • Identified multiple stable configurations of 2D (PEA)2PbI4 with distinct electronic properties.
  • Uncovered an intrinsic Rashba effect, arising from local symmetry breaking by PEA molecule orientation, challenging the assumption of global centrosymmetry.
  • Demonstrated significant tolerance to single-molecule rotations, indicating material flexibility.

Conclusions:

  • The intrinsic Rashba effect in 2D HPs highlights complex symmetrical behaviors and potential for spintronic applications.
  • The flexibility of 2D HPs suggests pathways for domain transitions.
  • Findings emphasize the crucial interplay between organic/inorganic components and electronic properties in 2D HPs for optoelectronic and spintronic applications.