双层镍酸盐La3Ni2O7超导转变温度的压力依赖: 巡游电子与局域自旋图像

路洪艳; 王强华

doi:10.7498/aps.74.20250696

摘要

对于双层Ruddlesden-Popper相镍酸盐La₃Ni₂O₇, 近期的实验研究表明, 在超导区, 随着压力增大, 其超导转变温度从18 GPa压力下的83 K单调下降, 表现出近直角三角形的超导转变温度-压力相图, 与铜氧化物超导体和铁基超导体中掺杂或压力下的穹顶形超导相图不同. 解释该反常相图对揭示La₃Ni₂O₇的超导机制至关重要. 由于电声耦合机制无法解释镍基超导体的高超导转变温度, 因此, 本文从巡游电子和局域自旋图像出发, 探讨超导转变温度的压力依赖性. 通过将理论结果与实验结果进行对比, 为揭示其超导机制提供线索.

关键词:

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:

作者及机构信息

路洪艳¹,
王强华²

1.
曲阜师范大学物理工程学院, 曲阜　273165

2.
南京大学物理学院, 固体微结构物理全国重点实验室, 南京　210093

通信作者: 路洪艳, hylu@qfnu.edu.cn ; 王强华, qhwang@nju.edu.cn

基金项目: 国家自然科学基金(批准号: 12074213, 12374147, 12274205, 92365203, 11874205, 11574108)、国家重点研发计划(批准号: 2022YFA1403201)和山东省自然科学基金重大基础研究项目(批准号: ZR2021ZD01)资助的课题.

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).

文章全文

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施引文献

图 1 La₃Ni₂O₇从常压到104 GPa压力的超导相图^[63]

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

下载: 全尺寸图片幻灯片

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]

Fig. 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].

下载: 全尺寸图片幻灯片

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

Fig. 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.

下载: 全尺寸图片幻灯片

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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双层镍酸盐La₃Ni₂O₇超导转变温度的压力依赖: 巡游电子与局域自旋图像

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

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1.
曲阜师范大学物理工程学院, 曲阜　273165

2.
南京大学物理学院, 固体微结构物理全国重点实验室, 南京　210093

通信作者: 路洪艳, hylu@qfnu.edu.cn ; 王强华, qhwang@nju.edu.cn

Authors and contacts

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

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