相关论文: VO: A Strongly Correlated Metal Close to a Mott- H…
An abrupt Mott metal-insulator transition (MIT) rather than the continuous Hubbard MIT near a critical on-site Coulomb energy U/U_c=1 is observed for the first time in VO_2, a strongly correlated material, by inducing holes of about 0.018%…
Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure…
The metal-insulator transition (MIT) in correlated oxide systems opens up a new paradigm to trigger the abruption in multiple physical functionalities, enabling the possibility in unlocking exotic quantum states beyond conventional phase…
Bandstructure calculations with different spin arrangement for the spin-chain compound MgVO_3 have been performed, and paramagnetic as well as magnetic solutions with ferro- and antiferromagnetically ordered chains are found, the magnetic…
Using density functional theory based calculations, we show that the correlated mixed-valent compound SmO is a 3D strongly topological semi-metal as a result of a 4$f$-5$d$ band inversion at the X point. The [001] surface Bloch spectral…
With density functional theory plus dynamical mean-field theory, we study the influence of Hund's coupling on the nature of electronic correlations in $\mathrm{Sr_2CoO_4}$. Our results suggest strong signatures of Hund's metal physics in…
We consider a quantum dot coupled to both superconducting and spin-polarized electrodes, and study the triad interplay of the Kondo effect, superconductivity, and ferromagnetism, any pair of which compete with and suppress each other. We…
The layered transition metal dichalcogenide vanadium disulfide (VS$_2$), which nominally has one electron in the $3d$ shell, is potent for strong correlation physics and is possibly another realization of an effective one-band model beyond…
Understanding the interplay of strong correlation and temperature in nodal-line semimetals can offer novel ways to control spin currents. Here we consider the 3d-5d double-perovskite Ba$_{2}$CoWO$_{6}$, which features…
The phase diagrams of quasi two-dimensional organic superconductors display a plethora of fundamental phenomena associated with strong electron correlations, such as unconventional superconductivity, metal-insulator transitions, frustrated…
The cubic perovskite SrVO$_3$ is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the $d$-electron spectral function, featuring a renormalized quasiparticle band in between…
We investigate the correlation effects on spin-orbit coupling (SOC) in a two-orbital Hubbard model on a square lattice by applying the variational Monte Carlo method. We consider an effective SOC constant $\lambda_{\text{eff}}$ in the…
Vanadium oxide (VOx) is a material of significant interest due to its metal-insulator transition (MIT) properties as well as its diverse stable antiferromagnetism depending on the valence states of V and O with distinct MIT transitions and…
The Mott metal-insulator transition-a drastic manifestations of Coulomb interactions among electrons-is the first-order transition of clear discontinuity, as shown by various experiments and the celebrated dynamical mean-field theory.…
The gas-liquid transition is a first-order transition terminating at a finite-temperature critical point with diverging density fluctuations. Mott transition, a metal-insulator transition driven by Coulomb repulsion between electrons, has…
Magnetic correlations in all four phases of pure and doped vanadium sesquioxide V_2O_3 have been examined by magnetic thermal neutron scattering. While the antiferromagnetic insulator can be accounted for by a Heisenberg localized spin…
We investigate the 5d transition metal oxide BaOsO$_3$ within a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT), using a matrix-product-state impurity solver. BaOsO$_3$ has 4 electrons in the t$_{2g}$…
Mott physics is at the root of a plethora of many-body quantum phenomena in quantum materials. Recently, the stacked or twisted structures of van der Waals (vdW) materials have emerged as a unique platform for realizing exotic correlated…
We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded…
A family of V-based kagome metals AV$_3$Sb$_5$ (A = Cs, Rb, K) presents an intriguing platform for exploring the interplay of time-reversal symmetry breaking, nontrivial topological bands, and electron correlations, resulting in a range of…