Related papers: Metallization of solid molecular hydrogen in two d…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
We discuss the superfluid to Mott-insulator transition of cold atoms in optical lattices recently observed by Greiner et.al. (Nature 415, 39 (2002)). The fundamental properties of both phases and their experimental signatures are discussed…
We report the simultaneous measurement of the structural and electronic components of the metal-insulator transition of VO$_2$ using electron and photoelectron spectroscopies and microscopies. We show that these evolve over different…
We study the effect of spatial inhomogeneity on the physics of a strongly correlated electron system exhibiting a metallic phase and a Mott insulating phase, represented by the simple Hubbard model. In three dimensions, we consider various…
We present the exact ground-state wave function and energy of the generalized Hubbard model, subjected to the condition that the number of double occupied sites is conserved, for a wide, physically relevant range of parameters. For one hole…
We investigate the Mott transitions in two-orbital Hubbard systems. Applying the dynamical mean field theory and the self-energy functional approach, we discuss the stability of itinerant quasi-particle states in each band. It is shown that…
Much effort has been made to modify the properties of transition metal dichalcogenide layers via their environment as a route to new functionalization. However, it remains a challenge to induce large electronic changes without chemically…
We analyze the highly non-perturbative regime surrounding the Mott-Hubbard metal-to-insulator transition (MIT) by means of dynamical mean field theory calculations at the two-particle level. By extending the results of Sch\"afer, et al.…
Mechanisms of Mott transitions and dx2-y2-wave superconductivity (SC) are studied in the half-filled-band Hubbard model on square lattices with a diagonal hopping term (t'), using an optimization (or correlated) variational Monte Carlo…
We explore the ground-state properties of the two-band Hubbard model with degenerate electronic bands, parametrized by nearest-neighbor hopping $t$, intra- and inter-orbital on-site Coulomb repulsions $U$ and $U^\prime$, and Hund coupling…
Ultrafast phase transitions induced by femtosecond light pulses present a new opportunity for manipulating the properties of materials. Understanding how these transient states are different from, or similar to, their thermal counterparts…
The Mott transition in a two-band Hubbard model involving subbands of different widths is studied as a function of temperature using dynamical mean field theory combined with exact diagonalization. The phase diagram is shown to exhibit two…
We use determinant Quantum Monte Carlo simulations and exact diagonalization to explore insulating behavior in the Hubbard model with a bimodal distribution of randomly positioned local site energies. From the temperature dependence of the…
We apply ultrafast spectroscopy to establish a time-domain hierarchy between structural and electronic effects in a strongly-correlated electron system. We discuss the case of the model system VO2, a prototypical non-magnetic compound that…
We present a model for the metal-insulator transition in 2D, observed in the recent years. Our starting point consists of two ingredients only, which are ubiquitous in the experiments: Coulomb interactions and weak disorder spin-orbit…
The Mott metal-insulator transition in the Hubbard model is studied by constructing a dynamical slave-boson mean-field theory in the limit of large lattice coordination number $z$ that incorporates the binding between doubly occupied…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
We study a two-species bosonic Hubbard model on a two-dimensional square lattice by means of quantum Monte Carlo simulations. In addition to the usual contact repulsive interactions between the particles, the Hamiltonian has an…
Understanding high-pressure transitions in prototypical linear diatomic molecules, such as hydrogen, nitrogen, and oxygen, is an important objective in high-pressure physics. Recent ultrahigh-pressure study on hydrogen revealed that there…
Motivated by the recent experimental observation of an intermediate bosonic metallic state in the two-dimensional superconductor-insulator transition at $T=0$, we study an extended Bose Hubbard model in the limit of large number of…