12 research outputs found
Orbital selective Mott transition in multi-band systems: slave-spin representation and dynamical mean-field theory
We examine whether the Mott transition of a half-filled, two-orbital Hubbard
model with unequal bandwidths occurs simultaneously for both bands or whether
it is a two-stage process in which the orbital with narrower bandwith localizes
first (giving rise to an intermediate `orbital-selective' Mott phase). This
question is addressed using both dynamical mean-field theory, and a
representation of fermion operators in terms of slave quantum spins, followed
by a mean-field approximation (similar in spirit to a Gutzwiller
approximation). In the latter approach, the Mott transition is found to be
orbital-selective for all values of the Coulomb exchange (Hund) coupling J when
the bandwidth ratio is small, and only beyond a critical value of J when the
bandwidth ratio is larger. Dynamical mean-field theory partially confirms these
findings, but the intermediate phase at J=0 is found to differ from a
conventional Mott insulator, with spectral weight extending down to arbitrary
low energy. Finally, the orbital-selective Mott phase is found, at
zero-temperature, to be unstable with respect to an inter-orbital
hybridization, and replaced by a state with a large effective mass (and a low
quasiparticle coherence scale) for the narrower band.Comment: Discussion on the effect of hybridization on the OSMT has been
extende
Competition of crystal field splitting and Hund's rule coupling in two-orbital magnetic metal-insulator transitions
Competition of crystal field splitting and Hund's rule coupling in magnetic
metal-insulator transitions of half-filled two-orbital Hubbard model is
investigated by multi-orbital slave-boson mean field theory. We show that with
the increase of Coulomb correlation, the system firstly transits from a
paramagnetic (PM) metal to a {\it N\'{e}el} antiferromagnetic (AFM) Mott
insulator, or a nonmagnetic orbital insulator, depending on the competition of
crystal field splitting and the Hund's rule coupling. The different AFM Mott
insulator, PM metal and orbital insulating phase are none, partially and fully
orbital polarized, respectively. For a small and a finite crystal
field, the orbital insulator is robust. Although the system is nonmagnetic, the
phase boundary of the orbital insulator transition obviously shifts to the
small regime after the magnetic correlations is taken into account. These
results demonstrate that large crystal field splitting favors the formation of
the orbital insulating phase, while large Hund's rule coupling tends to destroy
it, driving the low-spin to high-spin transition.Comment: 4 pages, 4 figure
The Out-of-Equilibrium Time-Dependent Gutzwiller Approximation
We review the recently proposed extension of the Gutzwiller approximation, M.
Schiro' and M. Fabrizio, Phys. Rev. Lett. 105, 076401 (2010), designed to
describe the out-of-equilibrium time-evolution of a Gutzwiller-type variational
wave function for correlated electrons. The method, which is strictly
variational in the limit of infinite lattice-coordination, is quite general and
flexible, and it is applicable to generic non-equilibrium conditions, even far
beyond the linear response regime. As an application, we discuss the quench
dynamics of a single-band Hubbard model at half-filling, where the method
predicts a dynamical phase transition above a critical quench that resembles
the sharp crossover observed by time-dependent dynamical mean field theory. We
next show that one can actually define in some cases a multi-configurational
wave function combination of a whole set of mutually orthogonal Gutzwiller wave
functions. The Hamiltonian projected in that subspace can be exactly evaluated
and is equivalent to a model of auxiliary spins coupled to non-interacting
electrons, closely related to the slave-spin theories for correlated electron
models. The Gutzwiller approximation turns out to be nothing but the mean-field
approximation applied to that spin-fermion model, which displays, for any
number of bands and integer fillings, a spontaneous symmetry breaking
that can be identified as the Mott insulator-to-metal transition.Comment: 25 pages. Proceedings of the Hvar 2011 Workshop on 'New materials for
thermoelectric applications: theory and experiment
Nematic pairing from orbital-selective spin fluctuations in FeSe
FeSe is an intriguing iron-based superconductor. It presents an unusual nematic state without magnetism and can be tuned to increase the critical superconducting temperature. Recently it has been observed a noteworthy anisotropy of the superconducting gaps. Its explanation is intimately related to the understanding of the nematic transition itself. Here, we show that the spin-nematic scenario driven by orbital-selective spin fluctuations provides a simple scheme to understand both phenomena. The pairing mediated by anisotropic spin modes is not only orbital selective but also nematic, leading to stronger pair scattering across the hole and X electron pocket. The delicate balance between orbital ordering and nematic pairing points also to a marked k z dependence of the hole\u2013gap anisotropy
Observation of a remarkable reduction of correlation effects in BaCr2As2 by ARPES
Študovali sme elektrónové vlastnosti vysokoteplotného supravodiča BaCr2As2 metódov ARPES a teoretickými výpočtami na základe jednokrokového modelu fotoemisie. Zistili sme výynamnú redukciu korelačných efektov v tomto materiáli a ukázali sme že Hundový mechanizmus v tomto materiály má zásadný vpliv na jeho vlastnosti,The superconducting phase in iron-based high-Tc superconductors (FeSC), as in other unconventional superconductors such as the cuprates, neighbors a magnetically ordered one in the phase diagram. This proximity hints at the importance of electron correlation effects in these materials, and Hund’s exchange interaction has been suggested to be the dominant correlation effect in FeSCs because of their multiband nature. By this reasoning, correlation should be strongest for materials closest to a halffilled 3d electron shell (Mn compounds, hole-doped FeSCs) and decrease for systems with both higher (electron-doped FeSCs) and lower (Cr-pnictides) 3d counts. Here we address the strength of correlation effects in nonsuperconducting antiferromagnetic BaCr2 As2 by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. This combination provides us with two handles on the strength of correlation: First, a comparison of the experimental and calculated effective masses yields the correlation-induced mass renormalization. In addition, the lifetime broadening of the experimentally observed dispersions provides another measure of the correlation strength. Both approaches reveal a reduction of electron correlation in BaCr2 As2 with respect to systems with a 3d count closer to five. Our results thereby support the theoretical predictions that Hund’s exchange interaction is important in these material