Related papers: Robust Mottness and tunable interlayer magnetism i…
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 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…
Kagome materials featuring dispersive Dirac cones and topological flat bands exhibit unique electronic and magnetic properties. However, kagome compounds with tunable electrical conductivity remain scarce, which severely impedes their…
Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rather weak for energetics. Such characteristics result in…
We show that the interplay of a high density two-dimensional electron gas and localized electrons in a neighboring Mott insulator leads to kinetic magnetism unique to the Mott/band insulator interface. Our study is based upon a bilayer…
Kagome lattices facilitate various quantum phases, yet in bulk materials, their kagome flat-bands often interact with bulk bands, suppressing kagome electronic characteristics for hosting these phases. Here, we use density-functional-theory…
Inspired by the recent discovery of breathing kagome materials \(\rm Nb_3Cl_8\) and \(\rm Nb_3TeCl_7\), we have explored the influence of the breathing effect on the Hubbard model of the kagome lattice. Utilizing the determinant quantum…
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…
Layered transition metal dichalcogenide 1T-NbSe_2 is a good candidate to explore the charge density wave (CDW) and Mott physics. However, the effects of stacking orders and interlayer coupling in CDW 1T-NbSe_2 are still less explored and…
Magnetic kagome lattices have attracted much attention recently due to the interplay of band topology with magnetism and electronic correlations, which give rise to a variety of exotic quantum states. A common structural distortion of the…
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…
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…
Aiming to clarify the mechanisms governing the interlayer magnetic coupling, we have investigated the stacking energy and interlayer magnetism of bilayer CrBr$_3$ systemically. The magnetic ground states of bilayer CrBr$_3$ with different…
In a recent advance, Nb3Cl8 two-dimensional crystals with a kagome lattice and electronic topological flat bands has been experimentally fabricated (Nano Lett. 2022, 22, 4596). In this work motivated by the aforementioned progress, we…
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…
Competing interlayer magnetic interactions in kagome magnets can lead to diverse magnetic phases, which enable various promising topological or quantum material properties. Here, the electronic structure and magnetic properties have been…
Mott insulator plays a central role in strongly correlated physics, where the repulsive Coulomb interaction dominates over the electron kinetic energy and leads to insulating states with one electron occupying each unit cell. Doped Mott…
The kagome lattice can host exotic magnetic phases arising from frustrated and competing magnetic interactions. However, relatively few insulating kagome materials exhibit incommensurate magnetic ordering. Here, we present a study of the…
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…
The hyper-kagome material Na$_4$Ir$_3$O$_8$ is a three-dimensional spin-liquid candidate proximate to a quantum critical point (QCP). We present a comprehensive study of the structure, magnetic susceptibility $\chi$, heat capacity $C$, and…