Physical review. B./Physical review. B
Beyond a cluster-Mott state in the breathing kagome lattice of LiZn 2 Mo 3 O 8
Sergey V Streltsov, Daisuke Takegami, Ryo Nakamura, P. P. Kovaleva, A. I. Poteryaev, S. A. Nikolaev, Hao-Hang Xu, Yu Sui, Masato Yoshimura, K.‐D. Tsuei, Naurang Lal Saini, Daniel I. Khomskii, T. Mizokawa
Abstract
Searching of materials, where a long-range magnetic order is suppressed by quantum fluctuations and a quantum spin liquid state realizes, is one of the central problems in the modern condensed matter physics. A possible candidate for such a state on the breathing Kagome lattice ${\mathrm{LiZn}}_{2}{\mathrm{Mo}}_{3}{\mathrm{O}}_{8}$ is scrutinized by hard x-ray photoemission spectroscopy (HAXPES), cluster dynamical mean-field theory (cDMFT), and exact diagonalization of an extended Hubbard model. The Mo $3d$ core level HAXPES peaks of ${\mathrm{LiZn}}_{2}{\mathrm{Mo}}_{3}{\mathrm{O}}_{8}$ are accompanied by shoulders on their lower energy side which are absent in ${\mathrm{Zn}}_{2}{\mathrm{Mo}}_{3}{\mathrm{O}}_{8}$. The shoulder peaks observed only in ${\mathrm{LiZn}}_{2}{\mathrm{Mo}}_{3}{\mathrm{O}}_{8}$ indicate ${\mathrm{Mo}}^{3+}$ and ${\mathrm{Mo}}^{4+}$ charge fluctuations. The cDMFT calculations not only describe experimental valence-band HAXPES spectra demonstrating importance of the correlation effects, but also feature nonlocal spin fluctuations. Exact diagonalization taking into account intertrimer Coulomb repulsion demonstrates long-range charge fluctuations consistent with HAXPES results.