Related papers: Electronic structure of tungsten-doped vanadium di…
We solve the Periodic Anderson model in the Mott-Hubbard regime, using Dynamical Mean Field Theory. Upon electron doping of the Mott insulator, a metal-insulator transition occurs which is qualitatively similar to that of the single band…
Switching voltage of first-order metal-insulator transition (MIT) in VO_2, an inhomogeneous strongly correlated system, is changed by irradiating an infrared light with wavelength, 1.5 micrometer, and applying the electric field…
First-principles band structure investigations of the electronic, optical and magnetic properties of Mo-doped In$_2$O$_3$ reveal the vital role of magnetic interactions in determining both the electrical conductivity and the Burstein-Moss…
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 study the electronic state of the doped Mott-Hubbard insulator within Dynamical Mean Field Theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both…
The path from a Mott insulating phase to high temperature superconductivity encounters a rich set of unconventional phenomena involving the insulator-to-metal transition (IMT) such as emergent electronic orders and pseudogaps that…
The chemical pressure effect on the structural, transport, magnetic and electronic properties (by measuring X-ray photoemission spectroscopy) of ZnV2O4 has been investigated by doping Mn and Co on the Zinc site of ZnV2O4. With Mn doping the…
Diamond, a well-known wide-bandgap insulator, becomes a low-temperature superconductor upon substitutional doping of carbon with boron. However, limited boron solubility and significant lattice disorder introduced by boron doping prevent…
The temperature-induced structural and electronic transformation in VO$_2$ between the monoclinic M1 and tetragonal rutile phases was studied by means of \textit{ab initio} molecular dynamics, based on density functional theory with Hubbard…
We investigated the infrared optical spectra of an organic dimer Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl, which was irradiated with X-rays. We observed that the irradiation caused a large spectral weight transfer from the…
The debate about whether the insulating phases of vanadium dioxide (VO2) can be described by band theory or must be described by a theory of strong electron correlations remains unresolved even after decades of research. Energy-band…
We study the effects of temperature on the band structure of the Bi$_2$Se$_3$ family of topological insulators using first-principles methods. Increasing temperature drives these materials towards the normal state, with similar…
Materials that undergo reversible metal-insulator transitions are obvious candidates for new generations of devices. For such potential to be realised, the underlying microscopic mechanisms of such transitions must be fully determined. In…
The doping induced insulator-metal transition in $La_{1-x}Sr_{x}TiO_{3}$ is studied using the ab-initio LDA+DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multi-orbital DMFT to treat…
We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle…
Doping Bi$_2$Se$_3$ by magnetic ions represents an interesting problem since it may break the time reversal symmetry needed to maintain the topological insulator character. Mn dopants in Bi$_2$Se$_3$ represent one of the most studied…
We present a comparative, theoretical study of the doping dependence of the critical temperature $T_C$ of the ferromagnetic insulator-metal transition in Gd-doped and O-deficient EuO, respectively. The strong $T_C$ enhancement in…
A central question in the high temperature cuprate superconductors is the fate of the parent Mott insulator upon charge doping. Here we use scanning tunneling microscopy to investigate the local electronic structure of lightly doped cuprate…
The amorphous conducting carbon films have been prepared at three different preparation temperatures with different boron-doping levels. The structural and transport properties of the same have been studied. X-ray diffraction measurements…
The filling-controlled metal-insulator transition (MIT) in a two-dimensional Mott-Hubbard system La1.17-xPbxVS3.17 has been studied by photoemission spectroscopy. With Pb substitution x, chemical potential mu abruptly jumps by ~ 0.07 eV…