Pressure dependence of superconducting transition temperature in bilayer nickelate La3Ni2O7: Itinerant electrons and local spin picture

LU Hongyan; WANG Qianghua

doi:10.7498/aps.74.20250696

Abstract

Recent experimental studies on the bilayer Ruddlesden-Popper phase nickelate La₃Ni₂O₇ have shown that in the superconducting region, its superconducting transition temperature decreases monotonically from 83 K at 18 GPa as pressure further increases, exhibiting a nearly right-triangular temperature-pressure phase diagram that is different from the dome-shaped diagrams observed in cuprates and iron-based superconductors under either doping or pressure. It is important to understand this anomalous phase diagram in elucidating the superconducting mechanism of La₃Ni₂O₇. Since the electron-phonon coupling mechanism cannot account for the high superconducting transition temperatures in nickelate superconductors, in this work, the pressure dependence of the transition temperature is investigated from the perspective of the itinerant electrons picture and the local spin picture. By combining the density functional theory (DFT) and the unbiased singular-mode functional renormalization group (SM-FRG) method, it is found that the pairing symmetry is consistently an $s_\pm$-wave, driven by spin fluctuations that become progressively weakened under pressure, thereby decreasing in the superconducting transition temperature, which is in qualitative agreement with the experimental observation. On the other hand, we estimate that the pressure dependence in the local spin picture contradicts with the experimental result. Therefore, the pressure dependence of superconducting transition temperature is more consistent with the itinerant electrons picture. Admittedly, we only made a rough estimation based on the local spin picture. It is expected that further and more detailed research will be conducted on the pressure dependence of superconducting transition temperature from the local spin picture, providing deeper insights into the underlying superconducting mechanism of La₃Ni₂O₇.

Keywords:

Authors and contacts

LU Hongyan¹,
WANG Qianghua²

1.
School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, China
2.
National Laboratory of Solid State Microstructures, School of Physics, Nanjing University, Nanjing 210093, China

Corresponding author: LU Hongyan, hylu@qfnu.edu.cn ; WANG Qianghua, qhwang@nju.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 12074213, 12374147, 12274205, 92365203, 11874205, 11574108), the National Key Resaerch and Development Program of China (Grant No. 2022YFA1403201), and the National Natural Science Foundation of Shandong Province, China (Grant No. ZR2021ZD01).

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References

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Cited By

图 1 La₃Ni₂O₇从常压到104 GPa压力的超导相图^[63]

Figure 1. The superconducting phase diagram of La₃Ni₂O₇ single crystals under ambient pressure to 104 GPa^[63].

DownLoad: Full-Size Img PowerPoint

图 2 (a) 高压下La₃Ni₂O₇的晶胞与原胞结构示意图; (b) 不同压力下原胞的能带结构及(c) 态密度(DOS)分布, 其中插图展示了费米能级$ E_\mathrm{F} $附近的DOS特征^[57]

Figure 2. (a) Conventional cell and primitive cell for La₃Ni₂O₇ under high pressure; (b) band structure and (c) DOS under different pressures for primitive cell, the insert shows the DOS near the $ E_\mathrm{F} $^[57].

DownLoad: Full-Size Img PowerPoint

图 3 (a) La₃Ni₂O₇在14.1, 50和90 GPa压力下, U = 3 eV, $ J_{\mathrm{H}} $ = 0.4 eV时, 超导(SC)、自旋密度波(SDW)和电荷密度波(CDW)通道中$ S^{-1} $随Λ变化的FRG流方程计算结果, 左插图展示50 GPa压力下费米面上的能隙函数分布, 右插图显示同压力下SDW通道最负奇异值$ S({\boldsymbol{q}}) $的空间分布特征^[57]; (b) La₃Ni₂O₇超导转变温度$ T_{\mathrm{c}} $随压力的相图^[57], $ T^{{\mathrm{onset}}}_{\mathrm{c}} $和$ {\mathrm{T}}^{{\mathrm{mid}}}_{\mathrm{c}} $引自实验数据^[63]用于对比, 费米能处态密度也展示出来用于对比

Figure 3. (a) FRG flows of $ S^{-1} $ versus Λ in the SC, SDW, and CDW channels of La₃Ni₂O₇, respectively, at pressures 14.1, 50, and 90 GPa with U = 3 eV, $ J_{\mathrm{H}} $ = 0.4 eV; the left subfigure present the gap function on the Fermi surfaces, the right subfigure presents the leading negative $ S({\boldsymbol{q}}) $ in the SDW channel, both subfigures are the results at pressure 50 GPa^[57]; (b) phase diagram of superconducting $ T_{\mathrm{c}} $ versus pressure of La₃Ni₂O₇^[57], the $ T^{{\mathrm{onset}}}_{\mathrm{c}} $ and $ T^{{\mathrm{mid}}}_{\mathrm{c}} $ are extracted from the experimental work^[63] for comparison, the DOS at the $ {E}_{\mathrm{F}}$ ($ {N}_{\mathrm{F}} $) versus pressure is also shown for comparison.

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表 1 不同压力下La₃Ni₂O₇双层双轨道紧束缚模型的在位能$ \varepsilon_a $与跃迁积分$ t_\delta^{ab} $参数表(其中x和z分别表示$ 3 {\mathrm{d}}_{x^2-y^2} $/$ 3 {\mathrm{d}}_{3 z^2-r^2} $轨道, 垂直层间距设定为1/2). 压力单位为GPa, $ \varepsilon_a $与$ t_\delta^{ab} $单位均为eV^[57]

Table 1. On-site energies $ \varepsilon_a $ and hopping integrals $ t_\delta^{ab} $ of the bilayer two-orbital tight-binding model for La₃Ni₂O₇ under different pressures. Here, x and z denote the $ 3 {\mathrm{d}}_{x^2-y^2} $/$ 3 {\mathrm{d}}_{3 z^2-r^2} $ orbitals, respectively. Note that the vertical interlayer distance is assigned as 1/2. The unit of pressure is GPa, and the unit of $ \varepsilon_a $ and $ t_\delta^{ab} $ are eV^[57].

Pressure	$ \varepsilon_x $	$ \varepsilon_z $	$ t_{(100)}^{x x} $	$ t_{(100)}^{z z} $	$ t_{(100)}^{x z} $	$ t_{\left(00\frac{1}{2}\right)}^{x x} $	$ t_{\left(00\frac{1}{2}\right)}^{z z} $	$ t_{(110)}^{x x} $	$ t_{(110)}^{z z} $	$ t_{\left(10\frac{1}{2}\right)}^{x z} $
14.1	0.728	0.402	–0.470	–0.118	0.235	0.008	–0.623	0.071	–0.018	–0.036
16.1	0.737	0.407	–0.476	–0.119	0.238	0.009	–0.629	0.071	–0.018	–0.037
19.7	0.747	0.411	–0.483	–0.121	0.242	0.009	–0.637	0.071	–0.018	–0.037
21.3	0.749	0.412	–0.486	–0.123	0.243	0.008	–0.640	0.071	–0.018	–0.037
25.7	0.761	0.416	–0.495	–0.125	0.247	0.009	–0.647	0.072	–0.018	–0.037
29.8	0.769	0.417	–0.501	–0.126	0.249	0.010	–0.651	0.072	–0.018	–0.036
40.0	0.803	0.426	–0.521	–0.134	0.259	0.009	–0.674	0.071	–0.015	–0.040
50.0	0.833	0.437	–0.535	–0.139	0.269	0.010	–0.698	0.073	–0.016	–0.042
60.0	0.847	0.435	–0.552	–0.145	0.273	0.011	–0.703	0.075	–0.016	–0.040
70.0	0.871	0.447	–0.566	–0.149	0.283	0.010	–0.723	0.073	–0.017	–0.041
80.0	0.896	0.453	–0.580	–0.153	0.287	0.009	–0.738	0.072	–0.015	–0.045
90.0	0.918	0.461	–0.593	–0.155	0.293	0.008	–0.753	0.071	–0.016	–0.046

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Pressure dependence of superconducting transition temperature in bilayer nickelate La₃Ni₂O₇: Itinerant electrons and local spin picture

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Corresponding author: LU Hongyan, hylu@qfnu.edu.cn ; WANG Qianghua, qhwang@nju.edu.cn

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