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Unique Schrödinger Semimetal State in Ternary Be2P3N Honeycomb Lattice

Abstract

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

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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, 2018, Accepted Manuscript
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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, 2018, Accepted Manuscript , DOI: 10.1039/C8TC04813D

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