Anomalous Hall Conductivity from Berry Curvature at the Dirac Point in AlPd5I2 Monolayer

Abstract

The anomalous Hall effect (AHE) in non-magnetic materials is a powerful transport probe of the Berry curvature (BC) of Bloch electrons and a key component of next-generation spintronic devices. In this work, I present a first-principles study of the anomalous Hall conductivity (AHC) in monolayer AlPd5I2, a two-dimensional material hosting a Dirac-type crossing located close to the Fermi energy. Density functional theory (DFT) with spin-orbit coupling (SOC) is performed using Quantum ESPRESSO and maximally localized Wannier functions (Wannier90). The electronic structure reveals a Dirac point at the S point, split by SOC into a gapped state with a large BC. The Fermi level is located slightly above the gap, yielding a metallic state with a very high AHC. The AHE is traced directly to the intense BC hotspots at the SOC-induced gap at the Dirac point. My findings establish the AlPd5I2 monolayer as a promising system for investigating BC dominated transport and large Hall responses.

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BibTeX RIS

BibTeX

@misc{sharma2026anomalous,
  title = {{Anomalous Hall Conductivity from Berry Curvature at the Dirac Point in AlPd5I2 Monolayer}},
  author = {Shubham Sharma},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15009118/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009118/v1},
  note = {CC BY},
}

RIS

TY  - UNPB
TI  - Anomalous Hall Conductivity from Berry Curvature at the Dirac Point in AlPd5I2 Monolayer
AU  - Shubham Sharma
PY  - 2026
DA  - 2026/09/20
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15009118/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009118/v1
AB  - The anomalous Hall effect (AHE) in non-magnetic materials is a powerful transport probe of the Berry curvature (BC) of Bloch electrons and a key component of next-generation spintronic devices. In this work, I present a first-principles study of the anomalous Hall conductivity (AHC) in monolayer AlPd5I2, a two-dimensional material hosting a Dirac-type crossing located close to the Fermi energy. Density functional theory (DFT) with spin-orbit coupling (SOC) is performed using Quantum ESPRESSO and maximally localized Wannier functions (Wannier90). The electronic structure reveals a Dirac point at the S point, split by SOC into a gapped state with a large BC. The Fermi level is located slightly above the gap, yielding a metallic state with a very high AHC. The AHE is traced directly to the intense BC hotspots at the SOC-induced gap at the Dirac point. My findings establish the AlPd5I2 monolayer as a promising system for investigating BC dominated transport and large Hall responses.
ER  -

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