相关论文: Molecular Orbital Electronic Instability in the va…
The kagome lattice provides a playground to explore novel correlated quantum states due to the presence of flat bands in its electronic structure. Recently discovered layered kagome compound Nb3Cl8 has been proposed as a Mott insulator…
By combining ab initio downfolding with cluster dynamical mean-field theory, we study the degree of correlations in monolayer, bilayer and bulk breathing-mode kagome van der Waals materials Nb$_3$(F,Cl,Br,I)$_8$. Our new material-specific…
The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with…
The destructive interference of wavefunctions in a kagome lattice can give rise to topological flat bands (TFBs) with a highly degenerate state of electrons. Recently, TFBs have been observed in several kagome metals, including…
Flat electronic bands strongly enhance Coulomb interactions and can stabilize unconventional insulating states. Motivated by the recent discovery of flat bands in breathing Kagome lattices, we use first-principles GW--Bethe--Salpeter theory…
The Hubbard model provides an idealized description of electronic correlations in solids. Despite its simplicity, the model features a competition between several different phases that have made it one of the most studied systems in…
We report direct spectroscopic evidence of correlation-driven Mott states in layered Nb$_3$Cl$_8$ through combining scanning tunneling microscopy (STM) and dynamical mean-field theory. The Hubbard bands persist down to monolayer, providing…
Motivated by recent studies of the cluster Mott insulator candidate compound Nb3Cl8, this study performs 93Nb and 35Cl nuclear magnetic resonance (NMR) measurements to investigate the electron correlations. Below the structural transition…
Kagome materials have become solid grounds to study the interplay among geometry, topology, correlation, and magnetism. Recently, semiconductors Nb3X8(X = Cl, Br, I) have been predicted to be two-dimensional (2D) magnets and importantly…
Niobium halides, Nb3X8 (X = Cl,Br,I), which are predicted two-dimensional magnets, have recently gotten attention due to their breathing kagome geometry. Here, we have studied the electronic structure of Nb3Br8 by using angle-resolved…
In a well-ordered crystalline solid, insulating behaviour can arise from two mechanisms: electrons can either scatter off a periodic potential, thus forming band gaps that can lead to a band insulator, or they localize due to strong…
We have successfully synthesized four Mo$_3$O$_8$-type cluster Mott insulators (CMI) by intercalating lithium into nonmagnetic precursors to regulate the Mo$_3$ cluster valence. The resulting materials are Li$_{1+x}$$R$Mo$_3$O$_8$ ($R$ =…
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and…
We unveil the microscopic origin of largely debated magnetism in the Mo$_{3}$O$_{8}$ cluster systems. Upon considering an extended Hubbard model at 1/6 filling on the anisotropic kagom\'e lattice formed by the Mo atoms, we argue that its…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the…
We detail the optimized synthesis of the Mo$_3$O$_8$-type cluster Mott insulator (CMI) Na$_3$Sc$_2$(MoO$_4$)$_2$Mo$_3$O$_8$, which has been considered a candidate for realizing the spin liquid ground state. The optimized…
Insulating Nb$_3$Cl$_8$ is a layered chloride consisting of two-dimensional triangular layers of $S_{eff}$ = 1/2 Nb$_3$Cl$_{13}$ clusters at room temperature. Magnetic susceptibility measurement show a sharp, hysteretic drop to a…
Recently, competing electronic instabilities, including superconductivity and density-wave-like order, have been discovered in vanadium-based kagome metals AV3Sb5 (A = K, Rb, Cs) with a nontrivial band topology. This finding stimulates wide…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the…
We present a combined computational and experimental study of Nb$_3$Cl$_8$, a correlated layered material containing Nb trimers, through the lens of competing intra- and intercluster interactions. Different proposed explanations for its…