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When strong correlations become weak: Consistent merging of GW and DMFT

机译:当强相关性变弱时:GW和DMFT的一致合并

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摘要

The cubic perovskite SrVO3 is generally considered to be a prototype strongly correlated metal with acharacteristic three-peak structure of the d-electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous "ab initio" simulations, has to be reconsidered. Using a fully self-consistent GW + extended dynamical mean-field theory calculation we find that the screening from nonlocal Coulomb interactions substantially reduces the effective local Coulomb repulsion, and at the same time leads to strong plasmonic effects. The resulting effective local interactions are too weak to produce pronounced Hubbard bands in the local spectral function, while prominent plasmon satellites appear at energies which agree with those of the experimentally observed sidebands. Our results demonstrate the important role of nonlocal interactions and dynamical screening in determining the effective interaction strength of correlated compounds.
机译:立方钙钛矿SrVO3通常被认为是具有d电子光谱函数特征三峰结构的强相关金属原型,在明显的Hubbard边带之间具有重新归一化的准粒子带。在这里,我们表明必须重新考虑这种解释,这种解释已得到众多“从头算”模拟的支持。使用完全自洽的GW +扩展的动力学平均场理论计算,我们发现从非局部库仑相互作用进行的筛选大大降低了有效的局部库仑排斥力,同时导致强烈的等离激元效应。产生的有效局部相互作用太弱,无法在局部光谱函数中产生明显的哈伯带,而突出的等离激元卫星则出现在与实验观察到的边带一致的能量上。我们的结果证明了非局部相互作用和动力学筛选在确定相关化合物的有效相互作用强度中的重要作用。

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