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arXiv 1708.04417cond-mat.str-el
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在LaCoO $_3$中与自旋和轨道激发纠缠的库仑关联

Coulomb correlations intertwined with spin and orbital excitations in LaCoO$_3$

K. Tomiyasu, J. Okamoto, H. Y. Huang, Z. Y. Chen, E. P. Sinaga, W. B. Wu, Y. Y. Chu, A. Singh, R. -P. Wang, F. M. F. de Groot, A. Chainani, S. Ishihara, C. T. Chen, D. J. Huang

摘要:

我们在LaCoO $_3$上进行了随温度变化(20 - 550 K)的共振非弹性X射线散射测量,以研究其电子结构在自旋态交叉上的演化。结合电荷转移多重态计算,我们精确地量子化了重整化晶体场激发能和自旋态布居。我们发现,在现场库仑相互作用的3d电子的屏蔽是轨道选择性和耦合到自旋态交叉在LaCoO $_3$。结果表明,逐渐的自旋态交叉与库仑能量与带宽的相对变化,导致莫特型绝缘体到金属的转变。

英文摘要:

We carried out temperature-dependent (20 - 550 K) measurements of resonant inelastic X-ray scattering on LaCoO$_3$ to investigate the evolution of its electronic structure across the spin-state crossover. In combination with charge-transfer multiplet calculations, we accurately quantized the renormalized crystal-field excitation energies and spin-state populations. We show that the screening of the on-site Coulomb interaction of 3d electrons is orbital selective and coupled to the spin-state crossover in LaCoO$_3$. The results establish that the gradual spin-state crossover is associated with a relative change of Coulomb energy versus bandwidth, leading to a Mott-type insulator-to-metal transition.

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