加压 La3Ni2O7 中正常态磁激发的掺杂演变

Hai-Yang Zhang, Yu-Jie Bai, Fan-Jie Kong, Xiu-Qiang Wu, Yu-Heng Xing, Ning Xu
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摘要

本文从理论上研究了镍酸盐 La3Ni2O7 正常态磁激发(MEs)的掺杂演化行为。对于 n = 3.0(大致相当于在 14 GPa 以上的中等高压下实现约 80 K 超导性的材料)的填充,MEs 表现出以(0,0)为中心的方形图案,该图案源于套内粒子-空穴散射。此外,研究还发现,MEs 对层间动量 qz 的调制作用非常强烈。随着 qz 的增大,ME 的模式发生了显著变化。在qz较大的情况下,它们转而由强度显著增大的层间激发模式所支配,这可能在超导配对中起着至关重要的作用。以往的研究并未揭示 MEs 的这一隐藏特征。研究发现,ME 的既有特征对掺杂具有很强的稳定性。它们在 n = 3.0 左右的宽空穴或电子掺杂区持续存在。然而,在电子掺杂较多的情况下,会发生利夫希茨转变。因此,在这一转变过程中,ME 的行为会发生质的变化。在没有空穴袋的情况下,我们预测在 n = 4.0 时,由于电子袋和空穴袋之间的完美嵌套,将出现强烈的自旋密度波(SDW)秩序倾向。因此,我们研究了ME的正常态行为及其掺杂演变,这可能会揭示加压La3Ni2O7中的超导机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Doping evolution of the normal state magnetic excitations in pressurized La3Ni2O7
The doping evolution behaviors of the normal state magnetic excitations (MEs) of the nickelate La3Ni2O7 are theoretically studied in this paper. For a filling of n = 3.0 which corresponds roughly to the material which realizes the superconductivity of about 80 K under moderately high pressures above 14 GPa, the MEs exhibit a square-like pattern centered at (0,0) which originates from the intrapocket particle-hole scatterings. Furthermore, it was found that the MEs show very strong modulations on the interlayer momentum qz. With the increasing of qz, the patterns of the MEs change dramatically. In the large qz regime, they turn to be ruled by the interpocket excitation modes with significantly larger intensity which may play a vital role in the superconducting pairing. This hidden feature of the MEs was not revealed by previous studies. The established features of the MEs are found to be very robust against doping. They persist in the wide hole- or electron-doping regime around n = 3.0. However, in the heavily electron-doped regime, a Lifshitz transition will occur. Consequently, the behaviors of the MEs change qualitatively across this transition. With the absence of the hole pocket, we predict that a strong tendency toward the spin-density-wave (SDW) order will develop due to the perfect nesting between the electron and the hole pockets at n = 4.0. Thus, we have investigated the normal state behaviors of the MEs and their doping evolutions which may shed light on the mechanism of superconductivity in pressurized La3Ni2O7.
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