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Moir\'e heterostructures of transition metal dichalcogenides exhibit Mott-insulating behaviour both at half-filling as well as at fractional fillings, where electronic degrees of freedom form self-organized Wigner crystal states. An open…
We study the structural, electronic and vibrational properties of single-layer 1TNbSe$_2$ from first principles. Within the generalized gradient approximation, the 1T polytype is highly unstable with respect to the 2H. The DFT+U method…
We study the evolution of magnetic structure driven by a synthetic spin-orbit coupling in a one-dimensional two-component Bose-Hubbard model. In addition to the Mott insulator-superfluid transition, we found in Mott insulator phases a…
Introducing, observing, and manipulating individual impurities coupled to a host material offers the opportunity to create new device concepts based on single spin and charge states. Because of potential applications in spintronics and…
Recently, we have solved the long-standing problem of connecting the physics of the Mott insulator to the underdoped regime of the t-J model [PRB 82, 014504, 2010]. We have derived a renormalized Hamiltonian valid for small doping (x) which…
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 double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
In this work, we present an analytical framework for studying antiferromagnetic (AFM) Mott insulating states in the Hubbard model. We first derive an analytical solution for the single-particle Green's functions in the atomic limit. Within…
The most intriguing observation of cuprate experiments is most likely the metal-insulator-crossover (MIC), seen in the underdome region of the temperature-doping phase diagram of copper-oxides under a strong magnetic field, when the…
Motivated by the widespread experimental observations of nematicity in strongly underdoped cuprate superconductors, we investigate the possibility of enhanced nematic fluctuations in the vicinity of a Mott insulator that displays…
We present a new approach based on the static density functional theory (DFT) to describe paramagentic MnO, which is a representative paramagnetic Mott insulator. We appended the spin noncollinearity and the canonical ensemble to the…
Iron-based superconductivity develops near an antiferromagnetic order and out of a bad metal normal state, which has been interpreted as originating from a proximate Mott transition. Whether an actual Mott insulator can be realized in the…
Neutron scattering measurements have demonstrated that the heavily Cu-doped NaFe$_{1-x}$Cu$_{x}$As compound behaves like a Mott insulator exhibiting both real space Fe-Cu stripes, as well as antiferromagnetism below a N\'eel temperature for…
An intriguing idea of spin-orbit Mott insulator has been proposed to explain magnetic insulating behavior in various iridates. This scenario relies on the strength of the spin-orbit coupling being comparable to electronic correlations, and…
The temperature dependence and anisotropy of optical spectral weights associated with different multiplet transitions is determined by the spin and orbital correlations. To provide a systematic basis to exploit this close relationship…
Disentangling the relationship between the insulating state with a charge gap and the magnetic order in an antiferromagnetic (AF) Mott insulator remains difficult due to inherent phase separation as the Mott state is perturbed. Measuring…
Multi-band Mott insulators with moderate spin-orbit and Hund's coupling are key reference points for theoretical concept developments of correlated electron systems. The ruthenate Mott insulator Ca$_{2}$RuO$_{4}$ has therefore been…
We performed angular and temperature-dependent electron-spin-resonance measurements in the quasi-two-dimensional organic conductor $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]I. The interlayer spin-diffusion is much weaker compared to the Cl- and…
Recently, correlated physics such as superconductivity and insulator at commensurate fractional electron fillings has been discovered in several different systems with Moire superlattice and narrow electron bands near charge neutrality.…
We explore the Mott insulating phases of dual-species bosonic spinor lattice gases, emphasizing the intriguing interplay between synthetic flux and inter-species spin exchange interaction. One of the species is subjected to Raman assisted…