Related papers: Electronic Structure and Heavy Fermion Behavior in…
The electronic structures of Sr_{14-x}Ca_{x}Cu24O41 are calculated within the local density approximation. Around the Fermi energy there exist quasi-one-dimensional bands originated from the ladder and chain layers. The nearest-neighbor…
The electronic structure of the layered 4$d$ transition metal oxide Sr$_{2}$RhO$_{4}$ is investigated by angle resolved photoemission. We find well-defined quasiparticle excitations with a highly anisotropic dispersion, suggesting a…
Based on experimental crystallographic data, electronic structure of UGe$_2$ have been calculated and compared with our results of X-ray photoelectron spectroscopy (XPS) measurements. We employed two different advanced full potential (FP)…
Using the tight-binding model of graphite, incorporating all Slonczewski-Weiss-McClure parameters, we compute the spectrum of two-dimensional states of electrons bound to a stacking fault in Bernal graphite. We find that those bands retain…
The spin-dependent band structure of CoS$_2$ which is a candidate for a half-metallic ferromagnet was investigated by both spin- and angle-resolved photoemission spectroscopy and theoretical calculations, in order to reappraise the…
We have studied the low-lying electronic structure of a new ThCr$_2$Si$_2$-type superconductor KNi$_2$Se$_2$ with angle-resolved photoemission spectroscopy. Three bands intersect the Fermi level, forming complicated Fermi surface topology,…
Mixed valence spinels provide a fertile playground for the interplay between charge, spin, and orbital degrees of freedom in strongly correlated electrons on a geometrically frustrated lattice. Among them, AlV$_2$O$_4$ and LiV$_2$O$_4$…
The electronic structures of the cubic and tetragonal $\mathrm{MnV}_2\mathrm{O}_4$ have been studied by using hybrid-exchange density functional theory. The computed electronic structure of the tetragonal phase shows an anti-ferro orbital…
The structural, electronic, and optical properties of twelve multicomponent oxides with layered structure, RAMO$_4$, where R$^{3+}$=In or Sc; A$^{3+}$=Al or Ga; and M$^{2+}$=Ca, Cd, Mg, or Zn, are investigated using first-principles density…
Structural, electronic, vibrational and dielectric properties of LaBGeO$_5$ with the stillwellite structure are determined based on \textit{ab initio} density functional theory. The theoretically relaxed structure is found to agree well…
We carry out a systematic study of the electronic and magnetic structure of the ambient-pressure bilayer La$_3$Ni$_2$O$_7$. Employing the hybrid exchange-correlation functional, we show that the exchange-correlation pushes the bonding…
The p-d model which well describes the CuO_2 planes of the high-Tc superconductors is studied by means of the Composite Operator Method (COM). The relevant quasi-particle excitations are represented by composite operators. As a result of…
Materials where the electronic bands have unusual topologies allow for the realization of novel physics and have a wide range of potential applications. When two electronic bands with linear dispersions intersect at a point, the excitations…
We have investigated the low-energy electronic structure of the heavy fermion superconductor CeCoIn5 by angle-resolved photoemission and band structure calculations. We measured the Fermi surface and energy distribution maps along the…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
We describe procedures to obtain the electronic structure of disordered systems using either tight binding like models or quite directly from ab inito density functional band structure calculations. The band structure is calculated using…
Heavy fermion systems represent one of the paradigmatic strongly correlated states of matter. They have been used as a platform for investigating exotic behavior ranging from quantum criticality and non-Fermi liquid behavior to…
Magnetically pure spinel compound ${\rm LiV_2O_4}$ is a rare $d$-electron heavy fermion. Measurements on single crystals are needed to clarify the mechanism for the heavy fermion behavior in the pure material. In addition, it is known that…
The electronic structure of nearly optimally-doped novel superconductor LaO$_{1-x}$F$_x$BiS$_2$ (${\it x}$ = 0.46) was investigated using angle-resolved photoemission spectroscopy (ARPES). We clearly observed band dispersions from 2 to 6 eV…
We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5} electronic configuration. The cell (cubic) and internal (oxygen position) structural…