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具有反射对称性破缺的截顶六边形平铺晶格中的狄拉克锥。

Dirac cones in a snub trihexagonal tiling lattice with reflective symmetry breaking.

作者信息

Yang Bo, Zhang Xiaoming, Wang Aizhu, Zhao Mingwen

机构信息

School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, People's Republic of China.

出版信息

J Phys Condens Matter. 2019 Apr 17;31(15):155001. doi: 10.1088/1361-648X/ab018f. Epub 2019 Jan 24.

Abstract

The present models of the two-dimensional (2D) Dirac materials always have reflective symmetry, but the essentiality has never been proved. Here we present an exceptional case: a snub trihexagonal tiling (STT) lattice without reflective symmetry. We demonstrate the existence of Dirac cones in this reflection-symmetry-free lattice by using a single-orbital tight-binding (TB) Hamiltonian. The SST lattice is also topologically nontrivial, because the Dirac cone can be gapped by spin-orbit coupling (SOC) effect associated with robust gapless edge states. Using first-principles calculations, we predict a promising candidate 2D material, BeC monolayer to realize this toy model. The Fermi velocities in this unique lattice are even higher than that in graphene. The stability and plausibility of the BeC monolayer are verified by positive phonon modes, molecular dynamical simulations and mechanical criteria. This work eliminates the need for reflective symmetry in 2D Dirac materials, opening an avenue for designing new 2D Dirac materials.

摘要

目前二维(2D)狄拉克材料的模型总是具有反射对称性,但这种必要性从未得到证明。在此我们展示一个特殊情况:一种没有反射对称性的截顶三方六边形平铺(STT)晶格。我们通过使用单轨道紧束缚(TB)哈密顿量证明了在这个无反射对称的晶格中存在狄拉克锥。SST晶格在拓扑上也是非平凡的,因为狄拉克锥可以通过与稳健的无隙边缘态相关的自旋轨道耦合(SOC)效应而产生能隙。使用第一性原理计算,我们预测一种有前景的候选二维材料——BeC单层来实现这个玩具模型。在这个独特晶格中的费米速度甚至高于石墨烯中的费米速度。BeC单层的稳定性和合理性通过正声子模式、分子动力学模拟和力学判据得到验证。这项工作消除了二维狄拉克材料中对反射对称性的需求,为设计新型二维狄拉克材料开辟了一条途径。

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