LaAs/LaBi异质结构中非平凡能带拓扑的特征
Signatures of non-trivial band topology in LaAs/LaBi heterostructure
摘要：
本文利用密度泛函理论研究了极磁电阻材料LaAs和LaBi异质结的非平凡拓扑结构。所提出的异质结构被发现是动态稳定的，并显示出非平凡的Z_{2}拓扑不变量和狄拉克锥在表面的体带反转。此外，还计算了其电子和空穴载流子密度比，探讨了其具有XMR效应的可能性。发现异质结构中的电子和空穴几乎得到补偿，从而使其成为XMR研究的合适候选者。
英文摘要：
In this article, we investigate non-trivial topological features in a heterostructure of extreme magnetoresistance (XMR) materials LaAs and LaBi using density functional theory (DFT). The proposed heterostructure is found to be dynamically stable and shows bulk band inversion with non-trivial Z_{2} topological invariant and a Dirac cone at the surface. In addition, its electron and hole carrier densities ratio is also calculated to investigate the possibility to possess XMR effect. Electrons and holes in the heterostructure are found to be nearly compensated, thereby facilitating it to be a suitable candidate for XMR studies.
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