arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2104.00869cond-mat.supr-concond-mat.mtrl-sci
收藏

近最佳掺杂铜氧化物La $_{1.875}$ Sr $_{0.125}$ CuO $_4$中声子不稳定性的第一性原理计算

The hidden competing phase revealed by first-principles calculations of phonon instability in the nearly optimally doped cuprate La$_{1.875}$Sr$_{0.125}$CuO$_4$

Chi-Cheng Lee, Ji-Yao Chiu, Yukiko Yamada-Takamura, Taisuke Ozaki

摘要:

通过第一性原理计算研究了具有代表性的铜氧化物La $_{2-x}$ M $_x$ CuO $_4$(M = Sr)和$x = 1/8$的高温四方晶系(HTT)、低温正交晶系(LTO)和低温少正交晶系(LTLO)结构。通过抑制磁性和超导电性,发现在$_{2-x}$ CuO $_4$中很少观察到的LTLO相为基态,其中结构相变HTT $\rightarrow$ LTO $\rightarrow$ LTLO可以通过声子不稳定性来理解.虽然La-O组合物被确定为负责声子软化,超导CuO $_2$层是动态稳定的。的LTLO阶段,它可以表现出$\sim$ 20毫电子伏分裂的状态密度,提出了与所观察到的赝能隙和电荷密度波给出的条纹有密切的关系。我们认为,在低温下,超导LTO La $_{1.875}$ Sr $_{0.125}$ CuO $_4$竞争的声子优先LTLO相自发地形成库珀对,从而抑制条纹。因此,揭示的LTLO相对于理解La $_{2-x}$ Sr $_x$ CuO $_4$是必不可少的。

英文摘要:

The representative cuprate, La$_{2-x}$M$_x$CuO$_4$, with M = Sr and $x = 1/8$ is studied via first-principles calculations in the high-temperature tetragonal (HTT), low-temperature orthorhombic (LTO), and low-temperature less-orthorhombic (LTLO) structures. By suppressing the magnetism and superconductivity, the LTLO phase, which has rarely been observed in La$_{2-x}$Sr$_x$CuO$_4$, is found to be the ground state, where the structural phase transitions, HTT$\rightarrow$LTO$\rightarrow$LTLO, can be understood via phonon instability. While the La-O composition is identified to be responsible for the phonon softening, the superconducting CuO$_2$ layer is dynamically stable. The LTLO phase, which can exhibit a $\sim$20 meV splitting in the density of states, is proposed to have an intimate relationship with the observed pseudogap and the charge density wave giving the stripe. We argue that at low temperatures, the superconducting LTO La$_{1.875}$Sr$_{0.125}$CuO$_4$ competes with the phonon-preferred LTLO phase by spontaneously forming the Cooper pairs, resulting in suppressing the stripe. Therefore, the revealed LTLO phase is indispensable for understanding La$_{2-x}$Sr$_x$CuO$_4$.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑