Related papers: Electronic Structure of Lanthanum Hydrides with Sw…
The photoelectron spectrum of water has been recorded in the vicinity of the ${\mathrm {\tilde A^+}}$ $\leftarrow$ $\tilde{\mathrm{X}}$ transition between 112 000 and 116 000 cm$^{-1}$ (13.89-14.38 eV). The high-resolution allowed the…
A reversible structural transition of an epitaxial La2/3Sr1/3MnO3 film deposited on the LaAlO3 substrate has been investigated by means of in situ high-resolution transmission electron microscopy (HREM) and electron diffraction, combined…
First-principles density functional theory (DFT) calculations of Lu-H-N compounds reveal low-energy configurations of Fm$\overline{3}$m Lu$_{8}$H$_{23-x}$N structures that exhibit novel electronic properties such as flat bands, sharply…
We report systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH$_2$, NaNH$_2$, KNH$_2$, and RbNH$_2$. The ground state…
We investigate the interplay of the electronic and structural transition in La$_{0.2}$Sr$_{0.8}$MnO$_{3}$. The transport and specific heat measurements exhibit unusual evolutions and signature of a first order phase transition around 265 K.…
The nature of the metal insulator transition in thin films and superlattices of LaNiO3 with only few unit cells in thickness remains elusive despite tremendous effort. Quantum confinement and epitaxial strain have been evoked as the…
We determine the electronic structure and phase stability of paramagnetic V$_2$O$_3$ at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initio method for calculating band structures with dynamical…
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…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
Measurements by high-resolution electron energy-loss spectroscopy (HREELS) of NaxCoO2 reveal spectral features that differ remarkably between the metallic Na0.33CoO2 and the charge-ordered insulator Na0.5CoO2. Calculations by density…
The lanthanum-hydrogen system has attracted significant attention following the report of superconductivity in LaH10 at near-ambient temperatures and high pressures. Here, we present the results of our single-crystal X-ray diffraction…
X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy and density functional theory calculations were used to study the electronic structure of three lanthanide scandates: GdScO3, TbScO3, and DyScO3. X-ray photoelectron…
The conducting quasi-two dimensional electron system (q2DES) formed at the interface between LaAlO3 and SrTiO3 band insulators is confronting the condensed matter physics community with new paradigms. While the mechanism for the formation…
We apply density functional theory and the augmented spherical wave method to analyze the electronic structure of V2O3 in the vicinity of an interface to Al2O3. The interface is modeled by a heterostructure setup of alternating vanadate and…
Thin films of VO$_2$ on different substrates, Al$_2$O$_3$ and SiO$_2$/Si, have been prepared and characterized from room temperature up to 360 K. From the band structure in the rutile metallic phase and in the monoclinic insulating phase…
The electronic structure and chemical bonding in reactively magnetron sputtered ZrHx (x=0.15, 0.30, 1.16) thin films with oxygen content as low as 0.2 at% are investigated by 4d valence band, shallow 4p core-level and 3d core-level X-ray…
Thin films of the correlated transition-metal oxide LaNiO$_3$ undergo a metal-insulator transition when their thickness is reduced to a few unit cells. Here, we use angle-resolved photoemission spectroscopy to study the evolution of the…
Three fundamentally different electronic structures for 3d electron states in LaCoO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic- like approach that yields the discrete energy…
We investigated the optical properties of (Ca,Sr)RuO_3 films on the borderline of a metal-insulator (M-I) transition. Our results show all of the predicted characteristics for a metallic Mott-Hubbard system, including (i) a mass enhancement…
Many materials exhibit various types of phase transitions at different temperatures, with many also demonstrating polymorphism. Doping materials can significantly alter their conductivity. In light of this, we have investigated the…