Papers › Spin-polarized two-dimensional electron/hole gases on LiCoO₂ layers
Spin-polarized two-dimensional electron/hole gases on LiCoO₂ layers
Santosh Kumar Radha, Walter R. L. Lambrecht
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First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO₂) terminated surfaces of finite slabs down to a monolayer of LiCoO₂ in remarkable contrast with the bulk band structure stabilized by Li donating its electron to the CoO₂ 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.
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