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Issue 14, 2019
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Unique Schrödinger semimetal state in ternary Be2P3N honeycomb lattice

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Abstract

Two-dimensional (2D) materials with zero band gaps are of great significance in fundamental science and potential applications but are rather scarce. Here we report a novel 2D semimetal, a ternary beryllium–phosphorus–nitrogen Be2P3N honeycomb-lattice monolayer by first-principles calculations. This graphene-like Be2P3N monolayer is composed of Be and N tricoordinated with P3 and exhibits excellent dynamic and thermal stabilities. Unlike the semimetal graphene with linear Dirac-cone energy-momentum dispersion, the Be2P3N monolayer is intrinsically gapless with parabolic E±(k) ∼ ±k2 band dispersion (the ± sign corresponds to the conduction and valence bands) in the low-energy vicinity, and features a peculiar “Schrödinger paraboloid”. The ±k2 band state mainly originates from P-pz electrons and has high stability against large external strains. This finding opens a new branch of semimetal nanomaterials research.

Graphical abstract: Unique Schrödinger semimetal state in ternary Be2P3N honeycomb lattice

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Publication details

The article was received on 24 Sep 2018, accepted on 29 Nov 2018 and first published on 03 Dec 2018


Article type: Paper
DOI: 10.1039/C8TC04813D
Citation: J. Mater. Chem. C, 2019,7, 4118-4123

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    Unique Schrödinger semimetal state in ternary Be2P3N honeycomb lattice

    L. Meng, Y. Zhang, S. Ni, B. Li and W. Wu, J. Mater. Chem. C, 2019, 7, 4118
    DOI: 10.1039/C8TC04813D

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