Polarity-induced electronic and atomic reconstruction at NdNiO2/SrTiO3 interfaces

@article{He2020PolarityinducedEA,
  title={Polarity-induced electronic and atomic reconstruction at 
NdNiO2/SrTiO3
 interfaces},
  author={Ri He and Peiheng Jiang and Yi Lu and Yidao Song and Mingxing Chen and Mingliang Jin and Lingling Shui and Zhicheng Zhong},
  journal={arXiv: Materials Science},
  year={2020}
}
Superconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this issue, we use density functional theory calculation and charge transfer self-consistent model to study the effects of polar discontinuity on the electronic and atomic reconstruction at the NdNiO2/SrTiO3 interface. We find that sharp interface with pure electronic reconstruction only is energetically unfavorable, and… Expand

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Surprisingly, well-defined two-dimensional electron gas (2DEG), stemming from atomic reconstruction and polar discontinuity at interface is found, which suggests the great potential of heterointerfaces composed of non-isostructural oxides for fundamental research. Expand
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