Electronic Structure of ZnCNi3

According to a recent report by Park et al, ZnCNi3 is isostructural and isovalent to the superconducting (Tc = 8 K) anti-perovskite, MgCNi3, but shows no indication of a superconducting transition down to 2K. A comparison of calculated electronic structures shows that the main features of MgCNi3, particularly the van Hove singularity near the Fermi energy, are preserved in ZnCNi3. Thus the reported lack of superconductivity in ZnCNi3 is not explainable in terms of Tc being driven to a very low value by a small Fermi level density of states. We propose that the lack of superconductivity, the small value of the linear specific heat coefficient, gamma, and the discrepancy between theoretical and experimental lattice constants can all be explained if the material is assumed to be a C-deficient alpha-ZnCNi3 similar to the analogous non-superconducting phase of MgCNi3

ELECTRONIC STRUCTURE OF FeSi

The full set of high-energy spectroscopy measurements including X-ray photoelectron valence band spectra and soft X-ray emission valence band spectra of both components of FeSi (Fe K_beta_5, Fe L_alpha, Si K_beta_1,3 and Si L_2,3) are performed and compared with the results of ab-initio band structure calculations using the linearized muffin-tin orbital method and linearized augmented plane wave method.Comment: 11 pages + 3 PostScript figures, RevTex3.0, to be published in J.Phys.:Cond.Matte

Electronic Structure of Sr_2FeMoO_6

We have analysed the unusual electronic structure of Sr_2FeMoO_6 combining ab-initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intraatomic exchange strength at the Mo site as well as the antiferromagnetic coupling strength between Fe and Mo sites. We discuss the possibility of a negative effective Coulomb correlation strength (U_{eff}) at the Mo site due to these renormalised interaction strengths.Comment: To appear in Phys. Rev. Let

Electronic structure of underdoped cuprates

We consider a two-dimensional Fermi liquid coupled to low-energy commensurate spin fluctuations. At small coupling, the hole Fermi surface is large and centered around $Q =(\pi,\pi)$. We show that as the coupling increases, the shape of the quasiparticle Fermi surface and the spin-fermion vertex undergo a substantial evolution. At strong couplings, $g \gg \omega_0$, where $\omega_0$ is the upper cutoff in the spin susceptibility, the hole Fermi surface consists of small pockets centered at $(\pm \pi/2, \pm \pi/2)$. Simultaneously, the full spin-fermion vertex is much smaller than the bare one, and scales nearly linearly with $|q-Q|$, where $q$ is the momentum of the susceptibility. At intermediate couplings, there exist both, a large hole Fermi surface centered at $(\pi,\pi)$, and four hole pockets, but the quasiparticle residue is small everywhere except for the pieces of the pockets which face the origin of the Brillouin zone. The relevance of these results for recent photoemission experiments in $YBCO$ and $Bi2212$ systems is discussed.Comment: 19 pages, RevTeX, 15 figures embedded in the text, submitted to Phys. Rep., ps-file is also available at http://lifshitz.physics.wisc.edu/www/morr/morr_homepage.htm

Surface electronic structure of Sr2RuO4

We have addressed the possibility of surface ferromagnetism in Sr2RuO4 by investigating its surface electronic states by angle-resolved photoemission spectroscopy (ARPES). By cleaving samples under different conditions and using various photon energies, we have isolated the surface from the bulk states. A comparison with band structure calculations indicates that the ARPES data are most readily explained by a nonmagnetic surface reconstruction.Comment: 4 pages, 4 figures, RevTex, submitted to Phys. Rev.

Electronic structure of Fe1.04(Te0.66Se0.34)

We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements, various photon energies and polarizations are exploited to study the Fermi surface topology and symmetry properties of the bands. The measured band structure and their symmetry characters qualitatively agree with our density function theory calculations of Fe(Te0.66Se0.34), although the band structure is renormalized by about a factor of three. We find that the electronic structures of this iron-chalcogenides and the iron-pnictides have many aspects in common, however, significant differences exist near the Gamma-point. For Fe1.04(Te0.66Se0.34), there are clearly separated three bands with distinct even or odd symmetry that cross the Fermi energy (EF) near the zone center, which contribute to three hole-like Fermi surfaces. Especially, both experiments and calculations show a hole-like elliptical Fermi surface at the zone center. Moreover, no sign of spin density wave was observed in the electronic structure and susceptibility measurements of this compound.Comment: 7 pages, 9 figures. submitted to PRB on November 15, 2009, and accepted on January 6, 201