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arXiv 1601.01440cond-mat.mes-hall
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非对称格点对称的节点面和节点线费米子

Node-Surface and Node-Line Fermions From Nonsymmorphic Lattice Symmetries

Qi-Feng Liang, Jian Zhou, Rui Yu, Zhi Wang, Hongming Weng

摘要:

利用对称性分析和第一性原理计算,在BaMX $_3$(M = V,Nb或Ta; X = S或Se)族准一维晶体中提出了一种新的半金属拓扑量子态.我们发现BaVS $_3$中的价带和导带在布里渊区(BZ)的$k_z=π/c$平面($c$是沿$\hat{z}$轴的晶格常数)上是简并的。这些节点形成一个节点表面,它们受到非对称晶体对称性的保护,该对称性由围绕$\hat{z}$轴的两次旋转和沿着同一$\hat{z}$轴的半平移组成。在BaTaS $_3$中,由于Ta的强自旋轨道耦合(SOC),节点表面的能带简并被提升。节点面在$k_z=π/c$平面上沿着高对称路径$k_x=0$和$k_x$ = $\pm{\sqrt{3}}k_y$被简化为一维节点线。这些节点线对SOC是鲁棒的,并由$P6_3/mmc$空间群的对称性保证。这些节点线状态完全不同于以前的建议,这些建议是基于偶然的带接触。我们还提出了一个有用的材料设计,实现拓扑节点表面和节点线半金属。

英文摘要:

We propose a kind of novel topological quantum state of semimetals in a quasi-one-dimensional (1D) crystals BaMX$_3$ (M = V, Nb or Ta; X = S or Se) family by using symmetry analysis and first principles calculation. We find that in BaVS$_3$ the valence and conduction bands are degenerate in the $k_z=π/c$ plane ($c$ is the lattice constant along $\hat{z}$ axis) of the Brillouin Zone (BZ). These nodal points form a node-surface and they are protected by a nonsymmorphic crystal symmetry consisting of a two-fold rotation about the $\hat{z}$ axis and a half-translation along the same $\hat{z}$ axis. The band degeneracy in the node-surface is lifted in BaTaS$_3$ by including strong spin-orbit coupling (SOC) of Ta. The node-surface is reduced into 1D node-lines along the high-symmetry paths $k_x=0$ and $k_x$ = $\pm{\sqrt{3}}k_y$ on the $k_z=π/c$ plane. These node-lines are robust against SOC and guaranteed by the symmetries of $P6_3/mmc$ space group. These node-line states are entirely different from previous proposals which are based on the accidental band touchings. We also propose a useful material design for realizing topological node-surface and node-line semimetals.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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