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Ionic Crystal Structures

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Chiral Phonons in 2D Halide Perovskites.

Mike Pols¹, Geert Brocks^1,2, Sofía Calero¹

¹Materials Simulation & Modelling, Department of Applied Physics and Science Education, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands.

|June 16, 2025

Summary

Chiral phonons in 2D halide perovskites carry angular momentum, driving spin and heat currents. This study confirms their presence, revealing insights into chirality-induced spin selectivity and spin Seebeck effects in these semiconductors.

Keywords:

angular momentum chirality density functional theory machine-learning force fields metal halide perovskites phonons, chiral phonons

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Area of Science:

Condensed Matter Physics
Materials Science
Spintronics

Background:

Chiral phonons in crystal structures exhibit circular polarization and carry angular momentum.
Two-dimensional (2D) halide perovskites are semiconductors with potential for chiral structures.
Phenomena like chirality-induced spin selectivity (CISS) and the spin Seebeck effect are observed in chiral 2D perovskites, but mechanisms are unclear.

Purpose of the Study:

To investigate the role of chiral phonons in 2D halide perovskites.
To elucidate the underlying mechanisms of CISS and spin Seebeck effects in these materials.

Main Methods:

Density functional theory (DFT) calculations.
On-the-fly machine-learning force fields trained against DFT.
Phonon chirality analysis.

Main Results:

Confirmed the presence of chiral phonons in 2D halide perovskites.
Identified low-energy phonons from the inorganic framework as the primary source of chirality.
Demonstrated that chiral phonons generate significant angular momentum under temperature gradients.

Conclusions:

Chiral phonons are key to understanding spin and thermal transport in chiral 2D perovskites.
These materials offer a platform for exploring phononic, electronic, spintronic, and thermal property interplay.
Further research into chiral phonon dynamics can unlock novel spintronic and thermoelectric applications.