Strong anisotropic nodal lines in the TiBe family
Strong anisotropic nodal lines in the TiBe family
复制标题
TiBe 族中强各向异性节线
DOI：
10.1039/c9cp00508k
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发表时间：
2019
影响因子：
3.3
通讯作者：
Sun L Z
中科院分区：
文献类型：
--
作者：
Zou Z C;Zhou P;Ma Z S;Sun L Z
通过第一性原理计算和k·p模型分析，发现在真实的体心立方TiBe族材料的低能带结构中存在Dirac节线.通过系统的镜面反射对称性保护节线。费米能级附近的各向异性电子态相互作用在系统中产生了强各向异性的准方形节线。此外，所有的系统都表现出鼓面表面状态跨越一个大的能量窗口，显示出它们在高温超导方面的潜力。由自旋轨道耦合（SOC）引起的轻微的间隙表明，TiBe家族的材料是有希望的候选人，为未来的实验研究的非平凡拓扑半金属。
Using first-principles calculations and k·p model analysis, we find that Dirac nodal lines (DNLs) exist in low energy band structures of real materials of the body-centered cubic TiBe family. The nodal lines are protected by mirror reflection symmetries of the systems. The anisotropic electronic state interaction around the Fermi level produces a strong anisotropic quasi-square shape nodal line in the systems. Moreover, all the systems demonstrate drumhead surface states spanning a large energy window showing their potential in terms of high temperature superconductivity. The slight gap induced by spin–orbit coupling (SOC) indicates that materials of the TiBe family are promising candidates for future experimental studies on nontrivial topological semimetals.