Non-Fermi liquid angle resolved photoemission lineshapes of Li0.9Mo6O17

A recent letter by Xue et al. (PRL v.83, 1235 ('99)) reports a Fermi-Liquid (FL) angle resolved photoemission (ARPES) lineshape for quasi one-dimensional Li0.9Mo6O17, contradicting our report (PRL v.82, 2540 ('99)) of a non-FL lineshape in this material. Xue et al. attributed the difference to the improved angle resolution. In this comment, we point out that this reasoning is flawed. Rather, we find that their data have fundamental differences from other ARPES results and also band theory.Comment: To be published as a PRL Commen

Bulk Band Gaps in Divalent Hexaborides

Complementary angle-resolved photoemission and bulk-sensitive k-resolved resonant inelastic x-ray scattering of divalent hexaborides reveal a >1 eV X-point gap between the valence and conduction bands, in contradiction to the band overlap assumed in several models of their novel ferromagnetism. This semiconducting gap implies that carriers detected in transport measurements arise from defects, and the measured location of the bulk Fermi level at the bottom of the conduction band implicates boron vacancies as the origin of the excess electrons. The measured band structure and X-point gap in CaB_6 additionally provide a stringent test case for proper inclusion of many-body effects in quasi-particle band calculations.Comment: 4 pages, 3 figures; new RIXS analysis; accepted for publication in PR

ARPES and NMTO Wannier Orbital Theory of LiMo6_{6}O17_{17} - Implications for Unusually Robust Quasi-One Dimensional Behavior

We present the results of a combined study by band theory and angle resolved photoemission spectroscopy (ARPES) of the purple bronze, Li$_{1-x}$Mo$_{6}$O$_{17}$. Structural and electronic origins of its unusually robust quasi-one dimensional (quasi-1D) behavior are investigated in detail. The band structure, in a large energy window around the Fermi energy, is basically 2D and formed by three Mo $t_{2g}$-like extended Wannier orbitals, each one giving rise to a 1D band running at a 120$^\circ$ angle to the two others. A structural "dimerization" from $\mathbf{c}/2$ to $\mathbf{c}$ gaps the $xz$ and $yz$ bands while leaving the $xy$ bands metallic in the gap, but resonantly coupled to the gap edges and, hence, to the other directions. The resulting complex shape of the quasi-1D Fermi surface (FS), verified by our ARPES, thus depends strongly on the Fermi energy position in the gap, implying a great sensitivity to Li stoichiometry of properties dependent on the FS, such as FS nesting or superconductivity. The strong resonances prevent either a two-band tight-binding model or a related real-space ladder picture from giving a valid description of the low-energy electronic structure. We use our extended knowledge of the electronic structure to newly advocate for framing LiMo$_{6}$O$_{17}$ as a weak-coupling material and in that framework can rationalize both the robustness of its quasi-1D behavior and the rather large value of its Luttinger liquid (LL) exponent $\alpha$. Down to a temperature of 6$\,$K we find no evidence for a theoretically expected downward renormalization of perpendicular single particle hopping due to LL fluctuations in the quasi-1D chains.Comment: 53 pages, 17 Figures, 6 year

Fermi Surface of Metallic V2_2O3_3 from Angle-Resolved Photoemission: Mid-level Filling of egπe_g^{\pi} Bands

Using angle resolved photoemission spectroscopy (ARPES) we report the first band dispersions and distinct features of the bulk Fermi surface (FS) in the paramagnetic metallic phase of the prototypical metal-insulator transition material V$_2$O$_3$. Along the $c$-axis we observe both an electron pocket and a triangular hole-like FS topology, showing that both V 3$d$ $a_{1g}$ and $e_g^{\pi}$ states contribute to the FS. These results challenge the existing correlation-enhanced crystal field splitting theoretical explanation for the transition mechanism and pave the way for the solution of this mystery.Comment: 5 pages, 4 figures plus supplement 12 pages, 3 figures, 1 tabl