Ac$_3$Ni$_2$O$_7$ and La$_2$$Ae$Ni$_2$O$_6$F ($Ae$ = Sr, Ba): Benchmark Materials for Bilayer Nickelate Superconductivity
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2024
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| author | Wu, Siqi Yang, Zihan Ma, Xin Dai, Jianhui Shi, Ming Yuan, Hui-Qiu Lin, Hai-Qing Cao, Chao |
| author_facet | Wu, Siqi Yang, Zihan Ma, Xin Dai, Jianhui Shi, Ming Yuan, Hui-Qiu Lin, Hai-Qing Cao, Chao |
| contents | We theoretically propose Ac$_3$Ni$_2$O$_7$, La$_2$BaNi$_2$O$_6$F, and La$_2$SrNi$_2$O$_6$F compounds to be benchmark materials for bilayer nickelate superconductivity. The stable phase of Ac$_3$Ni$_2$O$_7$ and La$_2$BaNi$_2$O$_6$F are found to be $I4/mmm$ without the lattice distortion caused by octahedra rotation at ambient pressure, where as the lattice distortion in La$_2$SrNi$_2$O$_6$F can be suppressed with relatively small external pressure of 4 GPa. The magnetism, electronic structure and spin susceptibilities of Ac$_3$Ni$_2$O$_7$ are extremely close to those of La$_3$Ni$_2$O$_7$ at 30 GPa. The ground state of La$_2$BaNi$_2$O$_6$F and La$_2$SrNi$_2$O$_6$F are antiferromagnetically coupled checkerboard bilayer with sizable magnetic moment on Ni. In addition, the inter-layer coupling $J_{\perp}$ between Ni-bilayers in La$_2$BaNi$_2$O$_6$F or La$_2$SrNi$_2$O$_6$F is only $\sim$ 1/10 of that in Ac$_3$Ni$_2$O$_7$ or La$_3$Ni$_2$O$_7$ at 30 GPa. We argue that these compounds may serve as superconducting candidates at ambient pressure and can be employed to testify theoretical proposals for bilayer nickelate superconductivity. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2403_11713 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Ac$_3$Ni$_2$O$_7$ and La$_2$$Ae$Ni$_2$O$_6$F ($Ae$ = Sr, Ba): Benchmark Materials for Bilayer Nickelate Superconductivity Wu, Siqi Yang, Zihan Ma, Xin Dai, Jianhui Shi, Ming Yuan, Hui-Qiu Lin, Hai-Qing Cao, Chao Superconductivity We theoretically propose Ac$_3$Ni$_2$O$_7$, La$_2$BaNi$_2$O$_6$F, and La$_2$SrNi$_2$O$_6$F compounds to be benchmark materials for bilayer nickelate superconductivity. The stable phase of Ac$_3$Ni$_2$O$_7$ and La$_2$BaNi$_2$O$_6$F are found to be $I4/mmm$ without the lattice distortion caused by octahedra rotation at ambient pressure, where as the lattice distortion in La$_2$SrNi$_2$O$_6$F can be suppressed with relatively small external pressure of 4 GPa. The magnetism, electronic structure and spin susceptibilities of Ac$_3$Ni$_2$O$_7$ are extremely close to those of La$_3$Ni$_2$O$_7$ at 30 GPa. The ground state of La$_2$BaNi$_2$O$_6$F and La$_2$SrNi$_2$O$_6$F are antiferromagnetically coupled checkerboard bilayer with sizable magnetic moment on Ni. In addition, the inter-layer coupling $J_{\perp}$ between Ni-bilayers in La$_2$BaNi$_2$O$_6$F or La$_2$SrNi$_2$O$_6$F is only $\sim$ 1/10 of that in Ac$_3$Ni$_2$O$_7$ or La$_3$Ni$_2$O$_7$ at 30 GPa. We argue that these compounds may serve as superconducting candidates at ambient pressure and can be employed to testify theoretical proposals for bilayer nickelate superconductivity. |
| title | Ac$_3$Ni$_2$O$_7$ and La$_2$$Ae$Ni$_2$O$_6$F ($Ae$ = Sr, Ba): Benchmark Materials for Bilayer Nickelate Superconductivity |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2403.11713 |