Related papers: Theory for Metal Hydrides with Switchable Optical …
Nitride hydrides are a largely unexplored class of materials with promising applications in solid-state hydrogen fuel cells. Here, we use first-principles calculations to characterize defects and ionic mobility in Sr$_2$LiH$_2$N (SLHN), a…
We study the electronic structures and dielectric functions of the simple hydrides LiH, NaH, MgH2 and AlH3, and the complex hydrides Li3AlH6, Na3AlH6, LiAlH4, NaAlH4 and Mg(AlH4)2, using first principles density functional theory and GW…
The superconducting and normal state characteristics of yttrium hexaboride (YB$_6$) have been investigated for the single crystals with a transition temperatures $T_c$ ranging between 6 K and 7.6 K. The extracted set of microscopic…
Temperature-driven metal-insulator and pressure-driven insulator-metal transitions observed in(BEDT-TTF)8[Hg4X12(C6H5Y)2]] with X = Y = Br are studied through band structure calculations based on X-ray crystal structure determination and…
We present measurements of the infrared response of the quasi-one-dimensional organic conductor (TMTSF)2$SO3 along (E||a) and perpendicular (E||b') to the stacking axis as a function of temperature. Above the metal-insulator transition…
We investigated optical absorption coefficient spectra of an epitaxial VO2 film in wide photon energy (0.5 - 5.0 eV) and temperature (100 - 380 K) regions. In its insulating phase, we observed two d-d transition peaks around 1.3 eV and 2.7…
We have completed a numerical investigation of the Anderson-Hubbard model for three-dimensional simple cubic lattices using a real-space self-consistent Hartree-Fock decoupling approximation for the Hubbard interaction. In this formulation…
Palladium hydride is a model system for studying metal-hydrogen interactions. Yet, its bulk electronic structure has proven difficult to directly probe, with most studies to date limited to surface-sensitive photoelectron spectroscopy…
We investigate the metal insulator transitions at finite temperature for the Hubbard model with diagonal alloy disorder. We solve the dynamical mean field theory equations with the non crossing approximation and we use the coherent…
We have analyzed spectral weight changes in the conduction and the valence band across insulator to metal transition (IMT) in the VO2 thin film using X-ray absorption spectroscopy (XAS) and resonant photoemission spectroscopy (PES). Through…
For many years a spin-state transition at $T \approx 100 K$ and insulator - metal transition (IMT) at $T_{IMT} \approx 600 K$ in LaCoO$_3 $ remains a mystery. Small low-spin - high-spin spin gap $\Delta _S = E\left( {HS} \right) - E\left(…
Unusual metallic states involving breakdown of the standard Fermi-liquid picture of long-lived quasiparticles in well-defined band states emerge at low temperatures near correlation-driven Mott transitions. Prominent examples are…
The insulating state is one of the most basic electronic phases in condensed matter. This state is characterised by an energy gap for electronic excitations that makes an insulator electrically inert at low energy. However, for complex…
The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…
In strongly correlated multi-band systems, like inter-metallics, heavy fermions or Kondo insulators, electron-electron and electron-phonon scattering of the electrons in the bands give rise, at finite temperatures, to a damping of these…
An instability of the quasi-1D Luttinger liquid associated with the metal - insulator transition is considered. The homogeneous metal ground state of this liquid is demonstrated to be unstable and the charge-density wave arises in the…
Transition metal nitrides have attracted much interest of the scientific community for their intriguing properties and technological applications. Here we focus on yttrium dinitride (YN$_{2}$) and its formation and structural transition…
We report on a metal-insulator transition in the LaAlO3-SrTiO3 interface electron system, of which the carrier density is tuned by an electric gate field. Below a critical carrier density n_c ranging from 0.5-1.5 * 10^13/cm^2, LaAlO3-SrTiO3…
The coupling of electronic degrees of freedom in materials to create hybridized functionalities is a holy grail of modern condensed matter physics that may produce novel mechanisms of control. Correlated electron systems often exhibit…
Most of our quantitative understanding of disorder-induced metal-insulator transitions comes from numerical studies of simple noninteracting tight-binding models, like the Anderson model in three dimensions. An important outstanding problem…