Related papers: Electronic Structure and Heavy Fermion Behavior in…
The electronic structure including energy bands, band weights, and local density of states (LDOS) of interfaces between hexagonal (AB) and rhombohedral (ABC) graphite has been has been calculated. The full-potential local-orbital code…
Using a two-dimensional Hubbard Hamiltonian for the three electronic bands crossing the Fermi level in Sr$_2$RuO$_4$ we calculate the band structure and spin susceptibility $\chi({\bf q}, \omega)$ in quantitative agreement with nuclear…
Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…
The effect of the strong intersite Coulomb correlations on the formation of the electron structure of the t-V-model has been studied. A qualitatively new result has been obtained which consists in the occurrence of a split-off band of the…
The electronic structure of ThRu2Si2 was studied by angle-resolved photoelectron spectroscopy (ARPES) with incident photon energies of hn=655-745 eV. Detailed band structure and the three-dimensional shapes of Fermi surfaces were derived…
We have studied the electronic structure of two Chevrel-phase compounds, Mo$_6$Se$_{7.5}$ and Sn$_{1.2}$Mo$_6$Se$_{7.5}$, by combining photoemission spectroscopy and band-structure calculations. Core-level spectra taken with x-ray…
Spin-filtered time-of-flight photoelectron momentum microscopy reveals a systematic variation of the band structure within a series of highly spin-polarized ferromagnetic Heusler compounds with increasing number of valence electrons…
The emergence of flat bands in twisted bilayer graphene leads to an enhancement of interaction effects, and thus to insulating and superconducting phases at low temperatures, even though the exact mechanism is still widely debated. The…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
We studied the electronic structure of the heavy fermion compound Yb(Ru$_{1-x}$Rh$_{x}$)$_2$Ge$_2$ with $x=0$ and nominally $x=0.125$ using ARPES and LDA calculations. We find a valence band structure of Yb corresponding to a non-integer…
The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected to…
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets…
Using projector augmented wave approach within the generalized gradient approximation, we have studied the structural property and electronic structure of ZrB12. The calculated lattice constants and bulk modulus are in good agreement with…
We present an ab initio $GW$ self-energy calculation of the electronic structure of LaNiO$_2$. With respect to density-functional theory we find that in $GW$ the La 4$f$ states undergo an important $+$2 eV upward shift from the Fermi level,…
LiV$_2$O$_4$ spinel is known to exhibit heavy fermion-like behavior below a characteristic temperature $T_K\simeq 20$ K, while it preserves a paramagnetic state down to $T\sim10^{-2}$ K due to geometrical frustration. Here, it is shown that…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…
The low-energy electronic structure of the itinerant metamagnet Sr3Ru2O7 is investigated by angle resolved photoemission and density functional calculations. We find well-defined quasiparticle bands with resolution limited line widths and…
The pronounced enhancement of the effective mass is the primary phenomenon associated with strongly correlated electrons. In the presence of local moments, the large effective mass is thought to arise from Kondo coupling, the interaction…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…