Strain-induced topological transition in SrRu2O6 and CaOs2O6
Strain-induced topological transition in SrRu2O6 and CaOs2O6
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SrRu2O6 和 CaOs2O6 中应变诱导的拓扑转变
DOI：
10.1103/physrevb.93.195149
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发表时间：
2016
影响因子：
3.7
通讯作者：
and Satoshi Okamoto
中科院分区：
文献类型：
--
作者：
Masayuki Ochi;Ryotaro Arita;Nandini Trivedi;and Satoshi Okamoto
利用密度泛函理论研究了不同应变条件下等结构材料的拓扑性质。基于对奇偶本征值的分析，我们预测在六边形布里渊带的a点诱导能带反转时可以实现三维强拓扑绝缘状态。因为，这样的转变需要相当不切实际的调整，其中只有轴被减少，而其他结构参数不变。然而，考虑到较大的自旋轨道耦合和较小的晶格常数，在均匀压缩应变下确实发生了所需的拓扑转变。我们的研究为在复杂氧化物中实现拓扑绝缘状态铺平了道路，这是迄今尚未被实验证明的。
The topological property ofand isostructuralunder various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For, such a transition requires rather unrealistic tuning, where only theaxis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in, the desired topological transition does occur under uniform compressive strain. Our study paves a way to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.