NdCuO中声子动力学和电荷响应的微观模拟
A microscopic modeling of phonon dynamics and charge response in NdCuO
摘要：
基于电子密度响应的微观模型，描述了掺杂$n$的高温超导体NdCuO的声子动力学和电荷响应.这是从绝缘状态开始，通过欠掺杂的奇怪的金属更传统的金属状态连续的轨道选择性不可压缩性-可压缩性转换方面的严格的总和规则的电荷响应。在这项工作中提出的方法为$n$掺杂的HTSC的修改最近应用到的$p$掺杂的化合物的建模，并表示通过掺杂引入的电子-空穴不对称性。一个定性的物理图片与我们的建模的电子状态的铜酸盐中给出了一个足够宽的轨道自由度，即Cu 3d/ $4s$和O $2p$是必不可少的。在线性响应理论的框架内，我们计算了不同相位的全声子色散曲线。特别是，强烈的掺杂依赖于异常的高频氧键伸缩模式（OBSM）的实验中发现的$p$掺杂的HTSC的，最近也为$n$掺杂的Nd $_{1.85}$ Ce $_{0.15}$ CuO $_{4}$进行了研究，并与非弹性中子散射和非弹性X射线散射的实验结果进行了比较，分别。我们计算了在$n$掺杂的NdCuO的情况下，不存在的$p$掺杂的LaCuO的OBSM的反交叉的情况下，并将其与不同的晶体结构。研究了由于电荷涨落型的非局域电子-声子相互作用效应引起的声子诱导的反常OBSM的电荷重分布。
英文摘要：
A description of phonon dynamics and charge response of the $n$-doped high-temperature superconductor (HTSC) NdCuO is presented based upon a microscopic modeling of the electronic density response. This is accomplished starting from the insulating state via the underdoped strange metallic to the more conventional metallic state by consecutive orbital selective incompressibility-compressibility transitions in terms of strict sum rules for the charge response. The approach proposed in this work for the $n$-doped HTSC's modifies the modeling recently applied to the $p$-doped compounds and expresses an electron-hole asymmetry introduced by doping. A qualitative physical picture consistent with our modeling of the electronic state in the cuprates is given in which a sufficiently broad set of orbital degrees of freedom, i.e. Cu3d/$4s$ and O$2p$ is essential. Within the framework of linear response theory we calculate full phonon dispersion curves in the different phases. In particular, the strongly doping dependent anomalous high-frequency oxygen bond-stretching modes (OBSM) found experimentally in the $p$-doped HTSC's and also recently for $n$-doped Nd$_{1.85}$Ce$_{0.15}$CuO$_{4}$ are investigated and compared with experimental results from inelastic neutron scattering and inelastic x-ray scattering, respectively. We calculate an anticrossing scenario for the OBSM in $n$-doped NdCuO which is absent in the case of $p$-doped LaCuO and relate it to the different crystal structure. Phonon-induced electronic charge redistributions of the anomalous OBSM due to nonlocal electron-phonon interaction effects of charge-fluctuation type giving reason to dynamic stripes are also studied.
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