275 research outputs found
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
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 LiMoO
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 LiMoO. The new data indicate a
larger spinon velocity than our previous lower resolution data indicated.Comment: submitted to SCES '0
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
Hidden one-dimensional electronic structure and non-Fermi liquid angle resolved photoemission line shapes of -MoO
We report angle resolved photoemission (ARPES) spectra of
-MoO, 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 NaMoO, 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
Unusual electronic ground state of a prototype cuprate: band splitting of single CuO_2-plane Bi_2 Sr_(2-x) La_x CuO_(6+delta)
By in-situ change of polarization a small splitting of the Zhang-Rice singlet
state band near the Fermi level has been resolved for optimum doped (x=0.4)
BiSrLaCuO at the (pi,0)-point (R.Manzke et al.
PRB 63, R100504 (2001). Here we treat the momentum dependence and lineshape of
the split band by photoemission in the EDC-mode with very high angular and
energy resolution. The splitting into two destinct emissions could also be
observed over a large portion of the major symmetry line M, giving the
dispersion for the individual contributions. Since bi-layer effects can not be
present in this single-layer material the results have to be discussed in the
context of one-particle removal spectral functions derived from current
theoretical models. The most prominent are microscopic phase separation
including striped phase formation, coexisting antiferromagnetic and
incommensurate charge-density-wave critical fluctuations coupled to electrons
(hot spots) or even spin charge separation within the Luttinger liquid picture,
all leading to non-Fermi liquid like behavior in the normal state and having
severe consequences on the way the superconducting state forms. Especially the
possibilty of observing spinon and holon excitations is discussed.Comment: 5 pages, 4 figure
ARPES Study of X-Point Band Overlaps in LaB and SmB - Contrast to SrB and EuB
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 and is absent
or nearly so for mixed valent SmB. This finding demonstrates a nontrivial
evolution of the band structure from divalent to trivalent hexaborides.Comment: submitted to SCES '0
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
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
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