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Strongly correlated materials often undergo a Mott metal-insulator transition, which is tipically first-order, as a function of control parameters like pressure. Upon doping, rich phase diagrams with competing instabilities are found. Yet,…
We study the interplay between electron correlation and disorder in the two-dimensional Hubbard model at half-filling by means of a variational wave function that can interpolate between Anderson and Mott insulators. We give a detailed…
We study how the Mott metal-insulator transition (MIT) is influenced when we deal with electrons with different angular momenta. For lithium we found an essential effect when we include $p$-orbitals in the description of the Hilbert space.…
Tools of quantum information theory offer a new perspective to characterize phases and phase transitions in interacting many-body quantum systems. The Hubbard model is the archetypal model of such systems and can explain rich phenomena of…
Ground state properties of multi-orbital Hubbard models are investigated by the auxiliary field quantum Monte Carlo method. A Monte Carlo technique generalized to the multi-orbital systems is introduced and examined in detail. The algorithm…
It has been reported that upon doping a Mott insulator, there can be a crossover to a pseudogaped metallic phase followed by a first-order transition to another thermodynamically stable metallic phase. We call this first-order metal-metal…
In this work we study the two-orbital Hubbard model on a square lattice in the presence of hybridization between nearest-neighbor orbitals and a crystal-field splitting. We use a highly reliable numerical technique based on the density…
We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…
By comparing the responses to an in-plane magnetic field near the metal-insulator transition (MIT), we find that the observed MIT in Si MOSFETs can be described by the non-perturbative Mott-Hubbard scenario. Interrelations between…
We investigate the Mott transition in the Kagom\'e lattice Hubbard model using a cluster extension of dynamical mean field theory. The calculation of the double occupancy, the density of states, the static and dynamical spin correlation…
The interaction between itinerant and Mott localized electronic states in strongly correlated materials is studied within dynamical mean field theory in combination with the numerical renormalization group method. A novel nonmagnetic zero…
We study the boundary physics of bulk insulators by considering three coupled Hubbard chains in a linear confining potential. In the Hartree-Fock approximation, the ground state at and slightly off the particle-hole symmetric point remains…
Experimental evidence for the possible universality classes of the metal-insulator transition (MIT) in two dimensions (2D) is discussed. Sufficiently strong disorder, in particular, changes the nature of the transition. Comprehensive…
The Mott-Hubbard metal-insulator transition is investigated in a two-band Hubbard model within dynamical mean-field theory. To this end, we use a suitable extension of Wilson's numerical renormalization group for the solution of the…
The mechanism of Mott transition in the Hubbard model on the square lattice is studied without explicit introduction of magnetic and superconducting correlations, using a variational Monte Carlo method. In the trial wave functions, we…
The electronic structure of VO$_2$ is studied in the frameworks of local density approximation (LDA) and LDA+$U$ to give a quantitative description of the metal-insulator (MI) transition in this system. It is found that, both structural…
We investigate the ground state phase diagram of the one-dimensional ionic Hubbard model with an alternating potential at half-filling by the bosonization technique as well as by numerical diagonalization of finite systems with the Lanczos…
Transition metal dichalcogenides (TMDs) host multiple competing structural and electronic phases, making them an ideal platform for constructing polytype heterostructures with emergent quantum properties. However, controlling phase…
The two-dimensional Holstein-Hubbard model is studied by means of continuous-time quantum Monte Carlo simulations. Using renormalization-group-invariant correlation ratios and finite-size extrapolation, the critical temperature of the…
To understand the mechanism of Mott transitions in case of no magnetic influence, superfluid-insulator (Mott) transitions in the S=0 Bose Hubbard model at unit filling are studied on the square and triangular lattices, using a variational…