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Intrinsic Chern Half-Metal with High Anomalous Hall Conductivity in 2D BaNiCl3_3

Published 1 May 2025 in cond-mat.mes-hall and cond-mat.mtrl-sci | (2505.00840v1)

Abstract: Two-dimensional (2D) half-metals offer complete spin polarization at the Fermi level, making them candidates for dissipationless spin transport. Yet intrinsic 2D half-metals exhibiting robust topological features, particularly large Chern number anomalous Hall conductivities, remain exceptionally rare. Using first-principles calculations, we identify atomically thin BaNiCl3_3, a layered halide perovskite (perovskene), as a topological half-metal. It exhibits a high Chern number (C≥2C \ge 2), a large anomalous Hall conductivity of 316~Ω<sup>−1,cm<sup>−1\Omega<sup>{-1},\mathrm{cm}<sup>{-1}, and a Fermi velocity of ≈0.78×10<sup>6\approx 0.78 \times 10<sup>6 m/s. The coexistence of complete spin polarization and high carrier velocity suggests low-dissipation spin transport. Spin-orbit coupling opens a sizable topological gap of ∼20 \sim 20\, meV, yielding nontrivial Berry curvature and enhancing the anomalous Hall response. Ferromagnetism is stabilized by the Ni<sup>2+<sup>{2+} (d<sup>8d<sup>8) configuration and Cl-mediated superexchange, supporting magnetic ordering at elevated temperatures. These results establish BaNiCl3_3 as a rare intrinsic Chern half-metal, with potential applications in quantum and spintronic technologies.

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