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

by Santosh Kumar Radha and Walter R. L. Lambrecht

Submission summary

As Contributors: Santosh Kumar Radha
Preprint link: scipost_202011_00010v1
Date submitted: 2020-11-11 14:27
Submitted by: Radha, Santosh Kumar
Submitted to: SciPost Physics
Academic field: Physics
  • Condensed Matter Physics - Theory
  • Condensed Matter Physics - Computational
Approaches: Theoretical, Computational


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, in remarkable contrast with the bulk band structure, which is 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-Schrieffer-Heeger (SSH4) model and symmetry analysis, we show that these surface states have topological origin.

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Submission scipost_202011_00010v1 on 11 November 2020

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