Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

  title={Spin-polarized two-dimensional electron/hole gases on LiCoO\$\_2\$ layers.},
  author={Santosh Kumar Radha and Walter R. L. Lambrecht},
  journal={arXiv: Strongly Correlated Electrons},
  • S. Radha, W. Lambrecht
  • Published 28 February 2020
  • Materials Science, Physics
  • arXiv: Strongly Correlated Electrons
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… 

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