Related papers: Electronic structure of the pyrochlore metals Cd2O…
After theoretical determination of the internal structural coordinates in Li$_2$Pd$_3$B, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_g$ phonons (40.6 meV for nearly pure Li mode, 13.0 meV for…
X-ray absorption spectroscopy (XAS) as well as x-ray magnetic circular dichroism (XMCD) and magnetization of hybrid pyrochlore Eu2-xFexTi2O7 were investigated, where the rare earth Eu (4f) was replaced with transition metal Fe (3d) to…
Two-dimensional electron gases (2DEGs) in oxides show great potential for discovering new physical phenomena and at the same time hold promise for electronic applications. In this work we use angle resolved photoemission to determine the…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
We report on the results of optical studies of the newly discovered superconductor Cd$_2$Re$_2$O$_7$ in the normal state. We show that the compound has an exotic metallic state at low temperature. The optical conductivity spectrum exhibits…
We report the observation of superconductivity in high-quality Cd$_2$Re$_2$O$_7$ single crystals with room-temperature pyrochlore structure. Resistivity and ac susceptibility measurements establish an onset transition temperature…
The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…
Infrared reflectance measurements were made on the single crystal pyrochlore Cd$_{2}$Os$_{2}$O$_{7}$ in order to examine the transformations of the electronic structure and crystal lattice across the boundary of the metal insulator…
The divergence of the electron density of states (DOS) plays an important role in enhancing many-body interactions and inducing various quantum phases in low-dimensional systems. However, such unique electronic structures remain…
The band structures of bulk transition metal dichalcogenides ReS2 and ReSe2 are presented, showing the complicated nature of the interband transitions in these materials, with several close-lying band gaps. Three-dimensional plots of…
The electronic structure of Me[N(CN)$_2$]$_2$ (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based…
The superconducting pyrochlore oxide Cd2Re2O7 is revisited with a particular emphasis on the sample-quality issue. The compound has drawn attention as the only superconductor (Tc = 1.0 K) that has been found in the family of…
By many-body quantum-chemical calculations, we investigate the role of two structural effects - local ligand distortions and the anisotropic Cd-ion coordination - on the magnetic state of Cd2Os2O7, a spin S=3/2 pyrochlore. We find that…
1$T$-TaS$_2$ is the only insulating transition-metal dichalcogenide (TMD) with an odd number of electrons per unit cell. This insulating state is non-magnetic, making it a potential spin-liquid candidate. The unusual electronic behavior…
Electronic correlation effects are manifested in quantum materials when either the onsite Coulomb repulsion is large or the electron kinetic energy is small. The former is the dominant effect in the cuprate superconductors or heavy fermion…
This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite…
The semi-metals having electrons near the Fermi level follow the relativistic equation of motion, and show Dirac or Weyl-type behavior. Their orbital resolved electronic bands analysis indicates the non-trivial topological states. Through…
We present for the first time the band structure calculation of $Bi_2Sr_2Ca_2Cu_3O_{10}$ compound in the tetragonal structure (space group $I4/mmm$). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail…
The density functional theory with generalized gradient approximation has been used to investigate the electronic structure of gadolinium pyrochlore A2Zr2O7 (A=Gd, Nd) ceramic synthesized in polycrystalline form by solid state reaction.…
Experimental investigation of the resistivity $\rho$, susceptibility $\chi$, specific heat C$_p$, and Hall coefficient R$_H$ of the pyrochlore Cd$_2$Re$_2$O$_7$ reveals the presence of a continuous phase transition of uncertain origin with…