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First principles calculations through density functional theory (DFT)+$U$ method were performed to assess the effect of Li interstitial doping on the optoelectronic properties of NiO and of cubic, hexagonal, and monoclinic WO$_3$. The…
We show that the $d^{0}$ ferromagnetism with high Curie temperature ($T_c$) can be achieved in the electron doped hydrogenated epitaxial graphene on some certain SiC substrates through first-principles calculations. The pristine systems are…
Realistic simulations of current ultra-cold atoms experiments in optical lattices show that the ramping up of the optical lattice is significantly nonadiabatic, implying that experimentally prepared Mott insulators are not really in the…
High-temperature superconductivity emerges in the CuO$_2$ plane upon doping a Mott insulator. To ascertain the influence of Mott physics plus short-range correlations, we solve a three-band copper-oxide model in the charge-transfer regime…
Superconductivity with $T_c \approx 15K$ was recently found in doped NdNiO$_2$. The Ni$^{1+}$O$_2$ layers are expected to be Mott insulators so hole doping should produce Ni$^{2+}$ with $S=1$, incompatible with robust superconductivity. We…
The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. As we approach it from large doping, a standard Fermi-liquid gradually turns into a bad non-Fermi liquid metal, a process which…
Recently, hole-doped superconducting cuprates with the T'-structure La1.8-xEu0.2SrxCuO4 (LESCO) have attracted a lot of attention. We have performed x-ray photoemission and absorption spectroscopy measurements on as-grown and reduced…
We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a…
The superconductor-to-insulator transition (SIT) induced by means such as external magnetic fields, disorder or spatial confinement is a vivid illustration of a quantum phase transition dramatically affecting the superconducting order…
Superconducting transition temperature (Tc) reported in SnAs-based layered compound NaSn$_2$As$_2$ varies from 1.2 to 1.6 K, implying that its superconductivity is critically sensitive to non-stoichiometry. Here, we demonstrate that…
We investigate effects of strong correlation on the surface state of topological insulator (TI). We argue that electrons in the regime of crossover from weak anti-localization to weak localization, are strongly correlated and calculate…
Although the mechanism of superconductivity in the cuprates remains elusive, it is generally agreed that at the heart of the problem is the physics of doped Mott insulators. The cuprate parent compound has one unpaired electron per Cu site,…
Doped SrTiO3 becomes a metal at extremely low doping concentrations n and is even superconducting with the superconducting transition temperature adopting a dome-like shape with the carrier concentration. It is shown here within the…
High temperature superconductivity has been found in many kinds of compounds built from planes of Cu and O, separated by spacer layers. Understanding why critical temperatures are so high has been the subject of numerous investigations and…
Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key for resolving the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting…
Stoichiometric SiNx layers (x = [N]/[Si] = 1.33) are doped with Si atoms by ultra-low energy ion implantation (ULE-II) and subsequently annealed at different temperatures in inert ambient conditions. Detailed material and memory cells…
We perform a thorough study of an extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using dynamical mean-field theory we investigated the zero temperature phase-diagram of this model as a function of the…
Inspired by recent advances in the fabrication of surface superlattices, and in particular the triangular lattice made of tin (Sn) atoms on silicon, we study an extended Hubbard mode on a triangular lattice. The observations of magnetism in…
With high-Tc cuprates in mind, properties of correlated dx2-y2-wave superconducting (SC) and antiferromagnetic (AF) states are studied for the Hubbard (t-t'-U) model on square lattices, using a variational Monte Carlo method. We employ…
We have studied the oxygen-isotope effects on T_{c} and in-plane penetration depth \lambda_{ab}(0) in an optimally doped 3-layer cuprate Bi_{1.6}Pb_{0.4}Sr_{2}Ca_{2}Cu_{3}O_{10+y} (T_{c} \sim 107 K). We find a small oxygen-isotope effect on…