Emergence of Berry curvature dipole and nonlinear Hall effect in a novel hexagonal borophosphene allotrope
Abstract
We investigate the electronic structure, local orbital coupling, and strain-tunable nonlinear Hall response of two arsenic-substituted borophosphene-derived monolayers, As@MBP and As@AMBP, using first-principles calculations and tight-binding analysis. In the absence of spin--orbit coupling, both systems exhibit a finite Berry-curvature dipole (BCD) and a substantial nonlinear Hall conductivity, demonstrating that the nonlinear response is intrinsically driven by orbital physics and inversion-symmetry breaking. As substitution opens sizable band gaps of 120 meV in As@MBP and 90 meV in As@AMBP, well exceeding room-temperature thermal fluctuations (kBT ≈ 25.9 meV). Tight-binding analysis reveals that As incorporation breaks the equivalence of B−P hoppings in As@MBP and induces sign reversals in key nearest-neighbor hoppings in As@AMBP, reflecting a pronounced electronic reconstruction beyond simple geometric effects. Under mechanical strain, the redistribution of Berry curvature yields a maximum BCD of 22 mathringA in As@MBP, approximately $10$ times larger than that of unstrained structure, and induces a reversal of the BCD sign. These results establish As-substituted borophosphene derivatives as promising light-element platforms for mechanically switchable nonlinear transport and quantum-material applications without relying on strong spin-orbit coupling.
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BibTeX
@misc{tung2026emergence,
title = {{Emergence of Berry curvature dipole and nonlinear Hall effect in a novel hexagonal borophosphene allotrope}},
author = {Ranjan Kumar Tung and Dimple and Venkatesan Subramanian and Vijay Singh},
howpublished = {arXiv},
year = {2026},
month = nov,
doi = {10.48550/arxiv.2611.04335},
eprint = {2611.04335},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2611.04335},
}
RIS
TY - UNPB
TI - Emergence of Berry curvature dipole and nonlinear Hall effect in a novel hexagonal borophosphene allotrope
AU - Ranjan Kumar Tung
AU - Dimple
AU - Venkatesan Subramanian
AU - Vijay Singh
PY - 2026
DA - 2026/11/03
PB - arXiv
DO - 10.48550/arxiv.2611.04335
UR - https://arxiv.org/abs/2611.04335
AB - We investigate the electronic structure, local orbital coupling, and strain-tunable nonlinear Hall response of two arsenic-substituted borophosphene-derived monolayers, As@MBP and As@AMBP, using first-principles calculations and tight-binding analysis. In the absence of spin--orbit coupling, both systems exhibit a finite Berry-curvature dipole (BCD) and a substantial nonlinear Hall conductivity, demonstrating that the nonlinear response is intrinsically driven by orbital physics and inversion-symmetry breaking. As substitution opens sizable band gaps of 120 meV in As@MBP and 90 meV in As@AMBP, well exceeding room-temperature thermal fluctuations (k_BT ≈ 25.9 meV). Tight-binding analysis reveals that As incorporation breaks the equivalence of B−P hoppings in As@MBP and induces sign reversals in key nearest-neighbor hoppings in As@AMBP, reflecting a pronounced electronic reconstruction beyond simple geometric effects. Under mechanical strain, the redistribution of Berry curvature yields a maximum BCD of 22 mathringA in As@MBP, approximately $10$ times larger than that of unstrained structure, and induces a reversal of the BCD sign. These results establish As-substituted borophosphene derivatives as promising light-element platforms for mechanically switchable nonlinear transport and quantum-material applications without relying on strong spin-orbit coupling.
ER -