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arXiv 2009.11941cond-mat.mtrl-sci
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轻元素化合物$α$ $_{\rm 3}$ N型晶体结构中的拓扑相

Topological phases in $α$-Li$_{\rm 3}$N-type crystal structure of light-element compounds

Ali Ebrahimian, Reza Asgari, Mehrdad Dadsetani

备注：
Article as accepted for publication in Physical Review B; 11 pages, 10 figures
发表信息：
Phys. Rev. B 102, 165119 (2020)
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摘要：

具有可调拓扑特征、简单晶体结构和灵活合成的材料，对拓扑节点独特性质的技术开发有着非常大的需求。利用密度泛函理论和有效哈密顿模型，结合对称性分析，确定了轻元素晶格几何的可控设计。这为合理地获得各种不同类型的新颖费米子提供了一个有趣的场所。因此，我们表明，节线（I型和II型），狄拉克费米子，和三相点（TP）的费米子激发可能出现作为一个带反转的直接结果，在第一组的$α$ -锂$_{\rm 3}$ N型晶体结构的氮化物。施加的张力对这些化合物是唯一重要的，它总是导致节线类型的相当大的修改。最重要的是，在应变下的系统中可以实现II型节点回路。这些独特的特性使得$α$ -Li $_{\rm 3} $ N型晶体结构成为实现各种类型的新颖费米子的理想场所，非常适合于技术应用。

英文摘要：

Materials with tunable topological features, simple crystal structure and flexible synthesis, are in extraordinary demand towards technological exploitation of unique properties of topological nodal points. The controlled design of the lattice geometry of light elements is determined by utilizing density functional theory and the effective Hamiltonian model together with the symmetry analysis. This provides an intriguing venue for reasonably achieving various distinct types of novel fermions. We, therefore, show that a nodal line (type-I and II), Dirac fermion, and triple point (TP) fermionic excitation can potentially appear as a direct result of a band inversion in group-I nitrides with $α$-Li$_{\rm 3}$N-type crystal structure. The imposed strain is exclusively significant for these compounds, and it invariably leads to the considerable modification of the nodal line type. Most importantly, a type-II nodal loop can be realized in the system under strain. These unique characteristics make $α$-Li$_{\rm 3} $N-type crystal structure an ideal playground to achieve various types of novel fermions well-suited for technological applications.

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