Related papers: Competing magnetic states in transition metal dich…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin…
Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied properties. They range from metals and superconductors to strongly spin-orbit-coupled semiconductors and charge-density-wave systems, with their single-layer…
Transition metal dichalcogenide moir\'e homobilayers have emerged as a platform in which magnetism, strong correlations, and topology are intertwined. In a large magnetic field, the energetic alignment of states with different spin in these…
Two-dimensional moir\'e materials offer a powerful, twist-tunable platform for engineering electronic bands and correlations, though most studies to date have focused on small twist angles where flat bands arise from symmetry-pinned…
The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A…
A detailed study of the paramagnetic to ferromagnetic phase transition in the one-band Hubbard model in the presence of binary alloy disorder is presented. The influence of the disorder (with concentration $x$ and $1-x$ of the two alloy…
Transition metal dichalcogenides (TMDs) are known to have a wide variety of magnetic structures by hosting other transition metal atoms in the van der Waals gaps. To understand the chemical trend of the magnetic properties of the…
The interplay of charge, spin, lattice, and orbital degrees of freedom leads to a wide range of emergent phenomena in strongly correlated systems. In heterobilayer transition metal dichalcogenide moir\'e systems, recent observations of Mott…
Magnetic materials hosting stable topological spin textures have demonstrated energy efficiency and potential as information carriers in novel logic and memory devices, offering an alternative to magnetic tunnel junction technology. While…
Non-monotonic differential resistance (dV/dI) is observed in magnetically induced insulating films which exhibit apparent superconductor-metal-insulator transitions in the low temperature limit; at low bias currents the nonlinear transport…
We propose a physical model based on disordered (a hole punched inside a material) monolayer transition metal dichalcogenides (TMDs) to demonstrate a large-gap quantum valley Hall insulator. We find an emergence of bound states lying inside…
Using the real-space Hartree Fock approximation, the magnetic phase diagram of a five-orbital Hubbard model for the iron-based superconductors is studied varying the electronic density $n$ in the range from 5 to 7 electrons per transition…
Monolayer transition metal dichalcogenides in the distorted octahedral 1T$^\prime$ phase exhibit a large bulk bandgap and gapless boundary states, which is an asset in the ongoing quest for topological electronics. In single-layer tungsten…
Mott-Hubbard and Hund electron correlations have been realized thus far in separate classes of materials. Here, we show that a single moir\'e homobilayer encompasses both kinds of physics in a controllable manner. We develop a microscopic…
We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…
The interaction-driven insulator-to-metal transition has been reported in the ionic Hubbard model (IHM) for moderate interaction $U$, while its metallic phase only occupies a narrow region in the phase diagram. To explore the enlargement of…
We propose twisted bilayers of certain group IV and IVB trigonal transition metal dichalcogenides (TMDs) MX$_{2}$ (M$=$Zr, Hf, Sn and X$=$S, Se) as moir\'{e} materials. In monolayer form these TMDs have conduction band minima near the three…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…
We study possible superconducting states in transition metal dichalcogenide (TMD) monolayers, assuming an on-site pairing potential that includes both intra- and inter-orbital terms. We find that if the mirror symmetry with respect to the…
The low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus…