Phonon Hall effect with first-principles calculations

Abstract

Phonon Hall effect (PHE) has attracted a lot of attention in recent years with many theoretical and experimental explorations published. While experiments work on complicated materials, theoretical studies are still hovering around the phenomenon-based models. Moreover, previous microscopic theory was found unable to explain large thermal Hall conductivity obtained by experiments in strontium titanate (STO). Therefore, as a first attempt to bridge this gap, we implement first-principles calculations to explore the PHE in real materials. Our work provides a new benchmark of the PHE in sodium chloride (NaCl) under a large external magnetic field. Moreover, we demonstrate our results in barium titanate (BTO), and discuss the results in STO in detail about their deviation from experiments. As a possible future direction, we further propose that the inner electronic Berry curvature plays an important role in the PHE in STO.

arXiv comment10 pages, 8 figures

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• Rotational $g$ factors and Lorentz forces of molecules and solids from density-functional perturbation theory
• Phonon chirality manipulation mechanism in TMD interlayer-sliding ferroelectrics
• Topological and disorder corrections to the transverse Wiedemann-Franz law and Mott relation in kagome magnets
• Electrically Controllable Chiral Phonons in Ferroelectric Materials
• Inherited Berry curvature of phonons in Dirac materials with time-reversal symmetry