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从中心对称氧化锆中的II型三重简并节点点和三带节点环到II型狄拉克点

From Type-II Triply Degenerate Nodal Points and Three-Band Nodal Rings to Type-II Dirac Points in Centrosymmetric Zirconium Oxide.

作者信息

Zhang Ting-Ting, Yu Zhi-Ming, Guo Wei, Shi Dongxia, Zhang Guangyu, Yao Yugui

机构信息

Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.

School of Physical Sciences, University of Chinese Academy of Sciences , Beijing 100049, China.

出版信息

J Phys Chem Lett. 2017 Dec 7;8(23):5792-5797. doi: 10.1021/acs.jpclett.7b02642. Epub 2017 Nov 15.

Abstract

Using first-principles calculations, we report that ZrO is a topological material with the coexistence of three pairs of type-II triply degenerate nodal points (TNPs) and three nodal rings (NRs), when spin-orbit coupling (SOC) is ignored. Noticeably, the TNPs reside around the Fermi energy with a large linear energy range along the tilt direction (>1 eV), and the NRs are formed by three strongly entangled bands. Under symmetry-preserving strain, each NR would evolve into four droplet-shaped NRs before fading away, producing distinct evolution compared with that in usual two-band NR. When SOC is included, TNPs would transform into type-II Dirac points while all of the NRs are gapped. Remarkably, the type-II Dirac points inherit the advantages of TNPs: residing around the Fermi energy and exhibiting a large linear energy range. Both features facilitate the observation of interesting phenomena induced by type-II dispersion. The symmetry protections and low-energy Hamiltonian for the nontrivial band crossings are discussed.

摘要

通过第一性原理计算,我们发现当忽略自旋轨道耦合(SOC)时,ZrO是一种拓扑材料,共存三对II型三重简并节点点(TNP)和三个节线环(NR)。值得注意的是,TNP位于费米能级附近,沿倾斜方向具有较大的线性能量范围(>1 eV),并且NR由三个强纠缠能带形成。在保持对称性的应变下,每个NR在消失之前会演变成四个液滴状NR,与通常的两能带NR相比产生明显的演化。当包含SOC时,TNP会转变为II型狄拉克点,而所有NR都会出现能隙。值得注意的是,II型狄拉克点继承了TNP的优点:位于费米能级附近并表现出较大的线性能量范围。这两个特征都有助于观察由II型色散引起的有趣现象。讨论了非平凡带交叉的对称性保护和低能哈密顿量。

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