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arXiv 1105.5841cond-mat.mtrl-sci
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Zintl Sr $_2X$化合物($X$ =Pb,Sn)中非平凡拓扑绝缘态的应变驱动起始

Strain driven onset of non-trivial topological insulating states in Zintl Sr$_2X$ compounds ($X$=Pb, Sn)

Yan Sun, Xing-Qiu Chen, Dianzhong Li, Cesare Franchini, Seiji Yunoki, Yiyi Li, Zhong Fang

摘要:

我们利用标准和混合密度泛函理论研究了碱土金属基化合物Sr $_2$ Pb和Sr $_2$ Sn的二元Zintl相的拓扑行为。结果发现,Sr $_2$ Pb位于拓扑不稳定性的边缘,可以通过施加小的单轴膨胀应变($>$ 3%)进行适当的调整。在Sr $_{2}$ Pb(010)表面上,非平凡的拓扑绝缘态显示出明确的金属态,并研究了其随膜厚的变化.

英文摘要:

We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds Sr$_2$Pb and Sr$_2$Sn using both standard and hybrid density functional theory. It is found that Sr$_2$Pb lies on the verge of a topological instability which can be suitably tuned through the application of a small uniaxial expansion strain ($>$ 3%). The resulting non-trivial topologically insulating state display well-defined metallic states in the Sr$_{2}$Pb(010) surface, whose evolution is studied as a function of the film thickness.

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