Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La$_3$Ni$_2$O$_{7}$ at Ambient Pressure
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arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866916881309368320 |
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| author | Liu, Yu-Bo Sun, Hongyi Zhang, Ming Liu, Qihang Chen, Wei-Qiang Yang, Fan |
| author_facet | Liu, Yu-Bo Sun, Hongyi Zhang, Ming Liu, Qihang Chen, Wei-Qiang Yang, Fan |
| contents | The discovery of high-temperature superconductivity (SC) with $T_c\approx 80$ K in the pressurized La$_3$Ni$_2$O$_{7}$ has aroused great interests. Currently, due to technical difficulties, most experiments on La$_3$Ni$_2$O$_{7}$ can only be performed at ambient pressure (AP). Particularly, various experiments have revealed the presence of spin-density wave (SDW) in the unidirectional diagonal double-stripe pattern with wave vector near $(π/2,π/2)$ in La$_3$Ni$_2$O$_{7}$ at AP. In this work, we employ first-principle calculations followed by the random phase approximation (RPA)-based study to clarify the origin of this special SDW pattern and the potential SC in La$_3$Ni$_2$O$_{7}$ at AP. Starting from our density-functional-theory band structure, we construct an eight-band bilayer tight-binding model using the Ni-$3d_{z^2}$ and $3d_{x^2-y^2}$ orbitals, which is equipped with the standard multi-orbital Hubbard interaction. Our RPA calculation reveals an SDW order driven by Fermi-surface nesting with wave vector ${Q}\approx(0,\pm0.84π)$ in the folded Brillouin zone (BZ). From the view of the unfolded BZ, the wave vector turns to ${Q}_0\approx\pm(0.58π,0.58π)$, which is near the one detected by various experiments. Further more, this SDW exhibits an interlayer antiferromagnetic order with a unidirectional diagonal double-stripe pattern, consistent with recent soft X-ray scattering experiment. This result suggests that the origin of the SDW order in La$_3$Ni$_2$O$_{7}$ at AP can be well understood in the itinerant picture as driven by Fermi surfaces nesting. In the aspect of SC, our RPA study yields an approximate $s^\pm$-wave spin-singlet pairing with $T_c$ much lower than that under high pressure. Further more, the $T_c$ can be strongly enhanced through hole doping, leading to possible high-temperature SC at AP. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_14752 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La$_3$Ni$_2$O$_{7}$ at Ambient Pressure Liu, Yu-Bo Sun, Hongyi Zhang, Ming Liu, Qihang Chen, Wei-Qiang Yang, Fan Superconductivity The discovery of high-temperature superconductivity (SC) with $T_c\approx 80$ K in the pressurized La$_3$Ni$_2$O$_{7}$ has aroused great interests. Currently, due to technical difficulties, most experiments on La$_3$Ni$_2$O$_{7}$ can only be performed at ambient pressure (AP). Particularly, various experiments have revealed the presence of spin-density wave (SDW) in the unidirectional diagonal double-stripe pattern with wave vector near $(π/2,π/2)$ in La$_3$Ni$_2$O$_{7}$ at AP. In this work, we employ first-principle calculations followed by the random phase approximation (RPA)-based study to clarify the origin of this special SDW pattern and the potential SC in La$_3$Ni$_2$O$_{7}$ at AP. Starting from our density-functional-theory band structure, we construct an eight-band bilayer tight-binding model using the Ni-$3d_{z^2}$ and $3d_{x^2-y^2}$ orbitals, which is equipped with the standard multi-orbital Hubbard interaction. Our RPA calculation reveals an SDW order driven by Fermi-surface nesting with wave vector ${Q}\approx(0,\pm0.84π)$ in the folded Brillouin zone (BZ). From the view of the unfolded BZ, the wave vector turns to ${Q}_0\approx\pm(0.58π,0.58π)$, which is near the one detected by various experiments. Further more, this SDW exhibits an interlayer antiferromagnetic order with a unidirectional diagonal double-stripe pattern, consistent with recent soft X-ray scattering experiment. This result suggests that the origin of the SDW order in La$_3$Ni$_2$O$_{7}$ at AP can be well understood in the itinerant picture as driven by Fermi surfaces nesting. In the aspect of SC, our RPA study yields an approximate $s^\pm$-wave spin-singlet pairing with $T_c$ much lower than that under high pressure. Further more, the $T_c$ can be strongly enhanced through hole doping, leading to possible high-temperature SC at AP. |
| title | Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La$_3$Ni$_2$O$_{7}$ at Ambient Pressure |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2501.14752 |