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arXiv · 2512.19916

Electronic and magnetic properties of the NdNiO$_2$/SrTiO$_3$ thin films

Sajid Sekh·Andrzej Ptok·Wojciech Brzezicki·Przemysław Piekarz·Andrzej M. Oleś
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Abstract

The hole-doped NdNiO$_2$ layer deposited on the SrTiO$_{3}$ surface exhibits unconventional superconductivity. Here, we present a systematic study of the electronic and magnetic properties of the NdNiO$_2$ superconductor using the density functional theory (DFT). The strong local Coulomb interactions in the Ni($3d)$ and Nd($4f$) states are included within the DFT+$U$ method. The effect of Sr doping on the electronic band structure and density of states was studied for the NdNiO$_2$ thin films deposited on the SrTiO$_3$ (001) surface. The results obtained for the uncapped thin films were compared with the calculations for the NdNiO$_2$ films capped by the SrTiO$_3$ layer. We have found significant changes in the electronic structure and magnetic properties of the thin films compared to the bulk crystal.

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Sajid Sekh, Andrzej Ptok, Wojciech Brzezicki, Przemysław Piekarz, Andrzej M. Oleś. 2025-12-22. Electronic and magnetic properties of the NdNiO$_2$/SrTiO$_3$ thin films. https://arxiv.org/abs/2512.19916

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