Exact diagonalization calculations of hole binding around Ni impurities in Ni-substituted cuprate superconductors
Exact diagonalization calculations of hole binding around Ni impurities in Ni-substituted cuprate superconductors
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镍取代铜酸盐超导体中镍杂质周围空穴结合的精确对角化计算
DOI：
10.1103/physrevb.80.224519
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
and S. Maekawa
中科院分区：
文献类型：
--
作者：
K. Tsutsui;A. Toyama;T. Tohyama;and S. Maekawa
我们研究了铜酸盐中Ni杂质对空穴载流子分布的影响，通过对由、、和轨道组成的模型进行数值精确对角化计算。利用系统的实际参数，我们发现一个空穴主要被束缚在Ni杂质周围的轨道上，形成了张-米重态。这对镍取代铜酸盐的建模施加了很强的限制。我们提出了一个共振的非弹性x射线散射实验来证实镍杂质周围的空穴结合。
We examine the influence of Ni impurity in cuprates on the distribution of hole carriers by performing numerically exact diagonalization calculations for a model consisting of,, andorbitals. Using realistic parameters for the system, we find that a hole is predominantly bound toorbitals around the Ni impurity forming the Zhang-Rice doublet. This imposes strong restrictions on modeling Ni-substituted cuprates. We propose a resonant inelastic x-ray scattering experiment foredge to confirm hole binding around the Ni impurity.