相关论文: Hubbard dimer physics and the magnetostructural tr…
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…
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…
Nb$_3$Cl$_8$, a cluster Mott insulator with a distinctive magnetic molecular orbital structure organized into a breathing kagome lattice, showcases critical phase transitions under specialized conditions. By transitioning from paramagnetic…
In this work, by combining density-functional theory (DFT) with dynamical mean-field calculations (DMFT), we compare the crystal and electronic structures of the prototype cluster Mott insulator Nb$_{3}$Cl$_8$ at ambient and high-pressure.…
Recent research suggests the possibility of the two-dimensional breathing-Kagome magnet Nb$_3$Cl$_8$ hosting a quantum spin liquid state, warranting further study into its magnetic properties. Using ab initio calculations, we show that…
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…
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…
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster Dynamical Mean Field Theory (DMFT). We compare cluster DMFT results with those of single site DMFT. We show that inclusion of the short range…
We investigate strong electron-electron correlation effects on 2-dimensional van der Waals materials Nb$_3$X$_8$ (X=Cl, Br, I). We find that the monolayers Nb$_3$X$_8$ are ideal systems close to the strong correlation limit. They can be…
We investigate the magnetic properties and Mott transition in the Hubbard model for weakly coupled chains on the anisotropic triangular lattice. Taking into account 120$^\circ$ N\'eel, and collinear orderings, the magnetic phase diagram is…
We report a comparative neutron single crystal diffraction study of the structural and magnetic properties of layered halides CrCl$_3$ and $\alpha$-RuCl$_3$, which host a honeycomb arrangement of transition metal ions with distinct…
Kagome materials have attracted extensive attention due to their correlated properties. The breathing kagome material system Nb3X8 (X = F, Cl, Br, I) is regarded as a Mott insulator. However, studies on the influence of interlayer coupling…
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…
Low-temperature magnetization (M) measurements down to 0.1 K have been performed in magnetic fields up to 14.5 T for a single piece of a tiny single-crystalline sample (0.2 mg weight) of the spin-gap system YbAl3C3. At the base temperature…
Ordinary band structure calculations of quantum materials often incorrectly predicted metallic, instead of insulating electronic structure, motivating Mott-Hubbard strong electron correlation as a gapping mechanism. More recently, allowing…
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$ ($R$ =…
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…
We discuss the transition strength between the disordered ground state and the basic low-lying triplet excitation for interacting dimer materials by presenting theoretical calculations and series expansions as well as inelastic neutron…
Motivated by recent experiments on Ba$_3$Cr$_2$O$_8$, we propose a theory describing low-temperature properties in magnetic field $h$ of dimer spin-$\frac12$ systems on a stacked triangular lattice with spatially anisotropic exchange…
The hexagonal 4d ruthenates Ba3MRu2O9 host structural dimers and exhibit a delicate balance of competing interactions. Hund's coupling, trigonal crystal-field splitting, and hopping for $a_{1g}$ and $e_g^\pi$ orbitals all fall within a…