Electronic and magnetic properties of the NdNiO$_2$/SrTiO$_3$ thin films
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arXiv
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| Auteurs principaux: | , , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866914216742486016 |
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| author | Sekh, Sajid Ptok, Andrzej Brzezicki, Wojciech Piekarz, Przemysław Oleś, Andrzej M. |
| author_facet | Sekh, Sajid Ptok, Andrzej Brzezicki, Wojciech Piekarz, Przemysław Oleś, Andrzej M. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_19916 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electronic and magnetic properties of the NdNiO$_2$/SrTiO$_3$ thin films Sekh, Sajid Ptok, Andrzej Brzezicki, Wojciech Piekarz, Przemysław Oleś, Andrzej M. Materials Science Strongly Correlated Electrons 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. |
| title | Electronic and magnetic properties of the NdNiO$_2$/SrTiO$_3$ thin films |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2512.19916 |