Emergence of 2D high-temperature nodal-line half-metal in monolayer AgN

Literature Information

Publication Date 2020-11-10
DOI 10.1039/D0CP04961A
Impact Factor 3.676
Authors

Xin-Yang Li, Meng-Han Zhang, Miao-Juan Ren, Chang-Wen Zhang


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Abstract

Nodal-line half-metals (NLHMs) are highly desirable for future spintronic devices due to their exotic quantum properties. However, the experimental realization in spin-polarized materials is nontrivial to date. Herein we perform first-principles calculations to demonstrate a 2D honeycomb, AgN, as a promising candidate of NLHMs, which is thermodynamically and dynamically stable. Band structure analysis reveals that two concentric NLs coexist centered at a Γ point near EF, accompanied by the electron and hole pockets that touch each other linearly with single-spin components. Inclusion of SOC can enrich the electronic structures of AgN, sensitive to the protection of mirror reflection symmetry: the NLHM survives if the spin is perpendicular to the Mz mirror plane, while it tunes into Wyle nodal-points by rotating spins from the out-of-plane to the in-plane direction. The characteristics of HM and NL can be well maintained on semiconducting h-BN and is immune to mechanical strains. These tunable magnetic properties render 2D AgN suitable for exotic quantum transports in nodal fermions as well as related spintronic devices.

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Front cover

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DOI: 10.1039/B904706A

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Physical Chemistry Chemical Physics
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