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Two-dimensional double-kagome-lattice nitrogene: a direct band gap semiconductor with nontrivial corner state

2023/11/01 by Wenzhang Li, Li, Wenzhang, Qin He +7
Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Quantum, superfluid, helium dynamics #Topological Materials and Phenomena

paper · pdf · doi:10.48550/arxiv.2311.00340

openalex publication_date 2023/11/01 · openalex created_date 2023/11/03 · openalex updated_date 2026/07/28

Abstract

Based on first-principles calculations, we predict that nitrogen atoms can assemble into a single-layer double kagome lattice (DKL), which possesses the characteristics of an intrinsic direct band gap semiconductor, boasting a substantial band gap of 3.460 eV. The DKL structure results in a flat valence band with high effective mass and a conduction band with small effective mass comes from Dirac electrons. These distinctive band edges lead to a significant disparity in carrier mobilities, with electron mobility being four orders of magnitude higher than that of holes. The presence of flat band in DKL-nitrogene can be further discerned through the enhanced optical absorption and correlated effects as exemplified by hole-induced ferromagnetism. Interestingly, DKL-nitrogene exhibits inherent second-order topological states, confirmed by a non-trivial second Stiefel-Whitney number and the presence of 1D floating edge states and 0D corner states within the bulk band gap. Additionally, the robust N-N bonds and the lattice's bending structure ensure thermodynamic stability and mechanical stiffness. These attributes make it exceptionally stable for potential applications in nano-devices.

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