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arXiv 2402.00547cond-mat.str-elcond-mat.supr-con
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局域铜氧态的自旋交叉对高温超导铜氧化物电子结构的影响

Effect of the spin crossover of local copper-oxygen states on the electronic structure of HTSC cuprates

Ilya Makarov, Sergey Ovchinnikov

AI总结:

本研究采用五带p-d模型下的GTB方法,探究不同掺杂水平下c轴单轴压力对La2-xSrxCuO4电子结构的影响,发现15.1 GPa压力下局域铜氧态自旋交叉引发电子结构突变。

摘要:

本工作研究了掺杂水平x=0.1、0.15、0.25时,沿c轴的单轴压力对高温超导铜氧化物La2-xSrxCuO4电子结构的影响。研究采用五带p-d模型框架下的GTB方法来描述电子系统。单轴压缩会导致电子结构发生显著重构,并改变低能准粒子激发的特征:价带顶出现a1g对称轨道的大量贡献。研究发现在压力Pc=15.1 GPa时,局域Zhang-Rice单重态与Emery-Reiter三重态之间发生交叉。压力作用下电子结构的特征性变化因该交叉而突变。具体而言,价带顶位移到k点(π,0)附近区域,费米轮廓转变为(0,0)、(2π,0)、(0,2π)、(2π,2π)附近的四个口袋以及(π,π)附近的一个轮廓。

英文摘要:

In this work, the effect of uniaxial pressure along the c axis on the electronic structure of the HTSC cuprate La2-xSrxCuO4 is investigated at the doping levels x = 0.1, 0.15, 0.25. The GTB method within the five-band p-d model framework is used to describe the electron system. The uniaxial compression leads to a significant reconstruction of the electronic structure and a change in the character of low-energy quasiparticle excitations: a large contribution of a1g symmetry orbitals appears at the top of the valence band. The crossover between the local Zhang-Rice singlet and the Emery-Reiter triplet was found at the pressure Pc = 15.1 GPa. The characteristic changes in the electronic structure under pressure occur abruptly as a result of the crossover. In particular, the top of the valence band displaces to the region around the k-point (pi,0), the Fermi contour transforms to the four pockets around (0,0),(2pi,0),(0,2pi),(2pi,2pi) and the one contour around (pi,pi).

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。

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