Related papers: Dependence of nonthermal metallization kinetics on…
Photoexcitation of metallic nanostructures with short optical pulses can drive non-thermal electronic states, which, upon decay, lead to elevated electronic temperatures ($T_e \gtrapprox 1000\,\mathrm{K}$) eventually equilibrating with the…
Thermal expansion in materials can be accurately modeled with careful anharmonic phonon calculations within density functional theory. However, because of interest in controlling thermal expansion and the time consumed evaluating thermal…
Magnetic impurity effects in carbon nanotubes are studied theoretically. The multi channel Kondo effect is investigated with the band structure of the metallic nanotubes. The local non-Fermi liquid behavior is realized at temperatures lower…
Electrical triggering of a metal-insulator transition (MIT) often results in the formation of characteristic spatial patterns such as a metallic filament percolating through an insulating matrix or an insulating barrier splitting a…
We report a density-functional theory study of the structural and electronic properties of Cd2V2O7 under high-pressure conditions. The calculations have been performed by using first-principle calculations with the CRYSTAL program. The…
High pressure is a proven effective tool for modulating inter-layer interactions in semiconducting transition metal dichalcogenides, which leads to significant band structure changes. Here, we present an extended infrared study of the…
Thermoelectric measurements detect the asymmetry between the density of states above and below the chemical potential in a material. It provides insights into small variations in the density of states near the chemical potential,…
We consider interaction effects in a granular normal metal at not very low temperatures. Assuming that all weak localization effects are suppressed by the temperature we replace the initial Hamiltonian by a proper functional of phases and…
We directly trace the near- and mid-infrared transmission change of a VO$_2$ thin film during an ultrafast insulator-to-metal transition triggered by high-field multi-terahertz transients. Non-thermal switching into a metastable metallic…
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric applications are generally small-gap semiconductors and should have a…
We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…
The question is raised about the pressure effects on the polarizability and dispersive binding in ionic and molecular systems. As an example we take the effect of hydrostatic pressure on the energy gap of phonon-coupled two-level systems.…
In this paper, first, we present a general formulation to investigate the ground-state and elementary excitations of an excitonic insulator (EI) in real materials. In addition, we discuss the out-of-equilibrium state induced (albeit…
Metal-insulator transition features as a transformation, from a highly charge conductive state to another state where charge conductivity is greatly suppressed when decreasing the temperature. Here we demonstrate two consecutive transitions…
We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The atomic structures of phase III modelled by C2/c-24 crystals…
The electronic structure of nanocrystalline (nc-) TiC/amorphous C nanocomposites has been investigated by soft x-ray absorption and emission spectroscopy. The measured spectra at the Ti 2p and C 1s thresholds of the nanocomposites are…
The low-frequency vibrational spectrum of an isolated nanometer-scale solid differs dramatically from that of a bulk crystal, causing the decay of a localized electronic state by phonon emission to be inhibited. We show, however, that an…
Heavy-fermion or Kondo lattice materials are considered to be typical strongly correlated systems, for which mean-field approximations have shown that the Coulomb interaction increases the effective mass and narrows the band gap. In this…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
We have investigated the charge dynamics of VO2 by optical reflectivity measurements. Optical conductivity clearly shows a metal-insulator transition. In the metallic phase, a broad Drude-like structure is observed. On the other hand, in…