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Topological band properties and anisotropick⋅pmodel of buckled hexagonal AsP monolayers
1Department of Physics, University of Tabuk, Tabuk 71491, Saudi Arabia.
Abstract:
We investigate topological and electronic properties of buckled hexagonal arsenide-phosphide (AsP) monolayers using first-principles calculations and comprehensive Berry curvature analysis. Standard topological invariants (Z2=0, Chern numberC = 0, quadrupole momentqxy=0) confirm the system is topologically trivial. However, a substantial mirror Chern numberCM(Mx)≈0.88reveals significant mirror-symmetry-protected band topology arising from buckling-induced eigenvalue splitting. Orbital analysis shows p-orbital-dominated Berry curvature with balanced As-P contributions from hybridization. Edge states in both zigzag and armchair terminations exhibit ∼3.4 e Å-1charge accumulation from conventional bulk polarization rather than topological protection. A symmetry-constrainedÅHamiltonian reproduces DFT bands with<25meVaccuracy. This establishes AsP as a model system for studying crystalline symmetry and orbital hybridization in light-element 2D materials without strong spin-orbit coupling.
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