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arXiv · 1909.00605

Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase

Yuekun Niu·Jian Sun·Yu Ni·Jingyi Liu·Yun Song·Shiping Feng
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Abstract

Multiorbital interactions have the capacity to produce an interesting kind of doublon-holon bound state that consists of a single-hole state in one band and a doubly-occupied state in another band. Interband doublon-holon pair excitations in the two-orbital Hubbard model are studied by using dynamical mean-field theory with the Lanczos method as the impurity solver. We find that the interband bound states may provide several in-gap quasiparticle peaks in the density of states of the narrow band in the orbital-selective Mott phase with a small Hund's rule coupling ($J$). There exists a corresponding energy relation between the in-gap states of the narrow band and the peaks in the excitation spectrum of the doublon for the wide band. We also find that the spin flip and pair-hopping Hund interactions can divide one quasiparticle peak into two peaks, where the splitting energy increases linearly with increasing $J$. Strong Hund's rule coupling can move the interband doublon-holon pair excitations outside the Mott gap and restrict the bound states by suppressing the orbital selectivity of the doubly-occupied and single-hole states.

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Yuekun Niu, Jian Sun, Yu Ni, Jingyi Liu, Yun Song, Shiping Feng. 2019-09-02. Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase. https://doi.org/10.1103/physrevb.100.075158

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