论文标题
LICOO $ _2 $层上的自旋偏振二维电子/孔气
Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers
论文作者
论文摘要
第一原则计算显示，在Li（COO $ _2 $）上形成了2D自旋两极化的电子（孔）气体，终止有限板的表面，直至LICOO $ _2 $的单层，与与Li将其电子捐赠给COO $ $ _2 $ _2 $ _2 $ _2 $ $ _2 $ him-infor的散装频段结构的显着对比，^2 $ ninformul vand_ insul forsul。通过将第一原理的计算结果映射到最小的紧密结合模型，该模型对应于四分之一的Su-Schriefer-Heeger（SSH4）模型的非手续3D概括，我们表明这些表面状态具有拓扑来源。
First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO$_2$) terminated surfaces of finite slabs down to a monolayer of LiCoO$_2$ in remarkable contrast with the bulk band structure stabilized by Li donating its electron to the CoO$_2$ layer forming a Co-$d-t_{2g}^6$ insulator. By mapping the first-principles computational results to a minimal tight-binding models corresponding to a non-chiral 3D generalization of the quadripartite Su-Schriefer-Heeger (SSH4) model, we show that these surface states have topological origin.
