Surface States of the Topological Insulator Bi_{1-x}Sb_x

We study the electronic surface states of the semiconducting alloy BiSb. Using a phenomenological tight binding model we show that the Fermi surface of the 111 surface states encloses an odd number of time reversal invariant momenta (TRIM) in the surface Brillouin zone confirming that the alloy is a strong topological insulator. We then develop general arguments which show that spatial symmetries lead to additional topological structure, and further constrain the surface band structure. Inversion symmetric crystals have 8 Z_2 "parity invariants", which include the 4 Z_2 invariants due to time reversal. The extra invariants determine the "surface fermion parity", which specifies which surface TRIM are enclosed by an odd number of electron or hole pockets. We provide a simple proof of this result, which provides a direct link between the surface states and the bulk parity eigenvalues. We then make specific predictions for the surface state structure for several faces of BiSb. We next show that mirror invariant band structures are characterized by an integer "mirror Chern number", n_M. The sign of n_M in the topological insulator phase of BiSb is related to a previously unexplored Z_2 parameter in the L point k.p theory of pure Bi, which we refer to as the "mirror chirality", \eta. The value of \eta predicted by the tight binding model for Bi disagrees with the value predicted by a more fundamental pseudopotential calculation. This explains a subtle disagreement between our tight binding surface state calculation and previous first principles calculations on Bi. This suggests that the tight binding parameters in the Liu Allen model of Bi need to be reconsidered. Implications for existing and future ARPES experiments and spin polarized ARPES experiments will be discussed.Comment: 15 pages, 7 figure

Hidden one-dimensional electronic structure and non-Fermi liquid angle resolved photoemission line shapes of η\eta-Mo4_4O11_{11}

We report angle resolved photoemission (ARPES) spectra of $\eta$-Mo$_4$O$_{11}$, a layered metal that undergoes two charge density wave (CDW) transitions at 109 K and 30 K. We have directly observed the ``hidden one-dimensional (hidden-1d)'' Fermi surface and an anisotropic gap opening associated with the 109 K transition, in agreement with the band theoretical description of the CDW transition. In addition, as in other hidden-1d materials such as NaMo$_6$O$_{17}$, the ARPES line shapes show certain anomalies, which we discuss in terms of non-Fermi liquid physics and possible roles of disorder.Comment: 3 figures; Erratum added to include missed reference

Spontaneous time reversal symmetry breaking in the pseudogap state of high-Tc superconductors

When matter undergoes a phase transition from one state to another, usually a change in symmetry is observed, as some of the symmetries exhibited are said to be spontaneously broken. The superconducting phase transition in the underdoped high-Tc superconductors is rather unusual, in that it is not a mean-field transition as other superconducting transitions are. Instead, it is observed that a pseudo-gap in the electronic excitation spectrum appears at temperatures T* higher than Tc, while phase coherence, and superconductivity, are established at Tc (Refs. 1, 2). One would then wish to understand if T* is just a crossover, controlled by fluctuations in order which will set in at the lower Tc (Refs. 3, 4), or whether some symmetry is spontaneously broken at T* (Refs. 5-10). Here, using angle-resolved photoemission with circularly polarized light, we find that, in the pseudogap state, left-circularly polarized photons give a different photocurrent than right-circularly polarized photons, and therefore the state below T* is rather unusual, in that it breaks time reversal symmetry11. This observation of a phase transition at T* provides the answer to a major mystery of the phase diagram of the cuprates. The appearance of the anomalies below T* must be related to the order parameter that sets in at this characteristic temperature .Comment: 11 pages, 4 figure

ARPES Study of X-Point Band Overlaps in LaB6_6 and SmB6_6 - Contrast to SrB6_6 and EuB6_6

In contrast to our recent finding of an X-point band gap in divalent hexaborides, we report here that angle resolved photoemission spectroscopy (ARPES) data shows that the gap is absent for trivalent LaB$_6$ and is absent or nearly so for mixed valent SmB$_6$. This finding demonstrates a nontrivial evolution of the band structure from divalent to trivalent hexaborides.Comment: submitted to SCES '0

Electronic Structure of Transition Metals Fe, Ni and Cu in the GW Approximation

The quasiparticle band structures of 3d transition metals, ferromagnetic Fe, Ni and paramagnetic Cu, are calculated by the GW approximation. The width of occupied 3d valence band, which is overestimated in the LSDA, is in good agreement with experimental observation. However the exchange splitting and satellite in spectra are not reproduced and it is required to go beyond the GW approximation. The effects of static screening and dynamical correlation are discussed in detail in comparison with the results of the static COHSEX approximation. The dynamical screening effects are important for band width narrowing.Comment: 4 pages, 3 figure

Photoemission view of electron fractionalization in quasi-one dimensional metal Li0.9_{0.9}Mo6_6O17_{17}

We report Luttinger liquid line shapes better revealed by new angle resolved photoemission data taken with a much improved angle resolution on a quasi-1-dimensional metal Li$_{0.9}$Mo$_6$O$_{17}$. The new data indicate a larger spinon velocity than our previous lower resolution data indicated.Comment: submitted to SCES '0

Luttinger liquid ARPES spectra from samples of Li0.9_{0.9}Mo6_6O17_{17} grown by the temperature gradient flux technique

Angle resolved photoemission spectroscopy line shapes measured for quasi-one-dimensional Li$_{0.9}$Mo$_6$O$_{17}$ samples grown by a temperature gradient flux technique are found to show Luttinger liquid behavior, consistent with all previous data by us and other workers obtained from samples grown by the electrolyte reduction technique. This result eliminates the sample growth method as a possible origin of considerable differences in photoemission data reported in previous studies of Li$_{0.9}$Mo$_6$O$_{17}$.Comment: Some text adde

New Luttinger liquid physics from photoemission on Li0.9_{0.9}Mo6_6O17_{17}

Temperature dependent high resolution photoemission spectra of quasi-1 dimensional Li$_{0.9}$Mo$_6$O$_{17}$ evince a strong renormalization of its Luttinger liquid density-of-states anomalous exponent. We trace this new effect to interacting charge neutral critical modes that emerge naturally from the two-band nature of the material. Li$_{0.9}$Mo$_6$O$_{17}$ is shown thereby to be a paradigm material that is capable of revealing new Luttinger physics.Comment: 4 pages, 3 figures. Accepted for publication by Phys. Rev. Let

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

Electronic structure and effects of dynamical electron correlation in ferromagnetic bcc-Fe, fcc-Ni and antiferromagnetic NiO

LDA+DMFT method in the framework of the iterative perturbation theory (IPT) with full LDA Hamiltonian without mapping onto the effective Wannier orbitals. We then apply this LDA+DMFT method to ferromagnetic bcc-Fe and fcc-Ni as a test of transition metal, and to antiferromagnetic NiO as an example of transition metal oxide. In Fe and Ni, the width of occupied 3d bands is narrower than those in LDA and Ni 6eV satellite appears. In NiO, the resultant electronic structure is of charge-transfer insulator type and the band gap is 4.3eV. These results are in good agreement with the experimental XPS. The configuration mixing and dynamical correlation effects play a crucial role in these results