9,775 research outputs found
Effects of anisotropy in spin molecular-orbital coupling on effective spin models of trinuclear organometallic complexes
We consider layered decorated honeycomb lattices at two-thirds filling, as
realized in some trinuclear organometallic complexes. Localized moments
with a single-spin anisotropy emerge from the interplay of Coulomb repulsion
and spin molecular-orbit coupling (SMOC). Magnetic anisotropies with bond
dependent exchange couplings occur in the honeycomb layers when the direct
intracluster exchange and the spin molecular-orbital coupling are both present.
We find that the effective spin exchange model within the layers is an XXZ +
120 honeycomb quantum compass model. The intrinsic non-spherical
symmetry of the multinuclear complexes leads to very different transverse and
longitudinal spin molecular-orbital couplings, which greatly enhances the
single-spin and exchange coupling anisotropies. The interlayer coupling is
described by a XXZ model with anisotropic biquadratic terms. As the correlation
strength increases the systems becomes increasingly one-dimensional. Thus, if
the ratio of SMOC to the interlayer hopping is small this stabilizes the
Haldane phase. However, as the ratio increases there is a quantum phase
transition to the topologically trivial `-phase'. We also predict a quantum
phase transition from a Haldane phase to a magnetically ordered phase at
sufficiently strong external magnetic fields.Comment: 22 pages, 11 figures. Final version of paper to be published in PRB.
Important corrections to appendix
Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in tri-nuclear organometallic clusters
Motivated by recent synthetic and theoretical progress we consider magnetism
in crystals of multi-nuclear organometallic complexes. We calculate the
Heisenberg symmetric exchange and the Dzyaloshinskii-Moriya antisymmetric
exchange. We show how, in the absence of spin-orbit coupling, the interplay of
electronic correlations and quantum interference leads to a quasi-one
dimensional effective spin model in a typical tri-nuclear complex,
MoS(dmit), despite its underlying three dimensional band structure.
We show that both intra- and inter-molecular spin-orbit coupling can cause an
effective Dzyaloshinskii-Moriya interaction. Furthermore, we show that, even
for an isolated pair of molecules the relative orientation of the molecules
controls the nature of the Dzyaloshinskii-Moriya coupling. We show that
interference effects also play a crucial role in determining the
Dzyaloshinskii-Moriya interaction. Thus, we argue, that multi-nuclear
organometallic complexes represent an ideal platform to investigate the effects
of Dzyaloshinskii-Moriya interactions on quantum magnets.Comment: This update incorporates the corrections described in a recently
submitted erratum. Changes are confined to sections IV.A and B. The
conclusions of the paper are unchanged. 12 + 4 pages, 9 figure
Spin-orbit coupling in {MoS(dmit)}
Spin-orbit coupling in crystals is known to lead to unusual direction
dependent exchange interactions, however understanding of the consequeces of
such effects in molecular crystals is incomplete. Here we perform four
component relativistic density functional theory computations on the
multi-nuclear molecular crystal {MoS(dmit)} and show that both
intra- and inter-molecular spin-orbit coupling are significant. We determine a
long-range relativistic single electron Hamiltonian from first principles by
constructing Wannier spin-orbitals. We analyse the various contributions
through the lens of group theory. Intermolecular spin-orbit couplings like
those found here are known to lead to quantum spin-Hall and topological
insulator phases on the 2D lattice formed by the tight-binding model predicted
for a single layer of {MoS(dmit)}
Mott transition in two-dimensional frustrated compounds
The phase diagrams of isotropic and anisotropic triangular lattices with
local Coulomb interactions are evaluated within cluster dynamical mean field
theory. As a result of partial geometric frustration in the anisotropic
lattice, short range correlations are shown to give rise to reentrant behavior
which is absent in the fully frustrated isotropic limit. The qualitative
features of the phase diagrams including the critical temperatures are in good
agreement with experimental data for the layered organic charge transfer salts
kappa-(BEDT-TTF)_2Cu[N(CN)_2]Cl and kappa-(BEDT-TTF)_2Cu_2(CN)_3.Comment: 4 pages, 4 figure
Unconventional metallic conduction in two-dimensional Hubbard-Wigner lattices
The interplay between long-range and local Coulomb repulsion in strongly
interacting electron systems is explored through a two-dimensional
Hubbard-Wigner model. An unconventional metallic state is found in which
collective low-energy excitations characteristic of the Wigner crystal induce a
flow of electrical current despite the absence of one-electron spectral weight
at the Fermi surface. Photoemission experiments on certain quarter-filled
layered molecular crystals should observe a gap in the excitation spectrum
whereas optical spectroscopy should find a finite Drude weight indicating
metallic behavior.Comment: 10 pages, accepted for publication in PR
Dynamical properties of a strongly correlated model for quarter-filled layered organic molecular crystals
The dynamical properties of an extended Hubbard model, which is relevant to
quarter-filled layered organic molecular crystals, are analyzed. We have
computed the dynamical charge correlation function, spectral density, and
optical conductivity using Lanczos diagonalization and large-N techniques. As
the ratio of the nearest-neighbour Coulomb repulsion, V, to the hopping
integral, t, increases there is a transition from a metallic phase to a charge
ordered phase. Dynamical properties close to the ordering transition are found
to differ from the ones expected in a conventional metal. Large-N calculations
display an enhancement of spectral weight at low frequencies as the system is
driven closer to the charge ordering transition in agreement with Lanczos
calculations. As V is increased the charge correlation function displays a
plasmon-like mode which, for wavevectors close to (pi,pi), increases in
amplitude and softens as the charge ordering transition is approached. We
propose that inelastic X-ray scattering be used to detect this mode. Large-N
calculations predict superconductivity with dxy symmetry close to the ordering
transition. We find that this is consistent with Lanczos diagonalization
calculations, on lattices of 20 sites, which find that the binding energy of
two holes becomes negative close to the charge ordering transition.Comment: 22 pages, 16 eps figures; caption of Fig. 5 correcte
Non-Fermi liquid behavior in nearly charge ordered layered metals
Non-Fermi liquid behavior is shown to occur in two-dimensional metals which
are close to a charge ordering transition driven by the Coulomb repulsion. A
linear temperature dependence of the scattering rate together with an increase
of the electron effective mass occur above T*, a temperature scale much smaller
than the Fermi temperature. It is shown that the anomalous temperature
dependence of the optical conductivity of the quasi-two-dimensional organic
metal alpha-(BEDT-TTF)2MHg(SCN)4, with M=NH4 and Rb, above T*=50-100 K, agrees
qualitatively with our predictions for the electronic properties of nearly
charge ordered two-dimensional metals.Comment: accepted in Phys. Rev. Let
Generating Higher-Order Lie Algebras by Expanding Maurer Cartan Forms
By means of a generalization of the Maurer-Cartan expansion method we
construct a procedure to obtain expanded higher-order Lie algebras. The
expanded higher order Maurer-Cartan equations for the case
are found. A dual formulation for the
S-expansion multialgebra procedure is also considered. The expanded higher
order Maurer Cartan equations are recovered from S-expansion formalism by
choosing a special semigroup. This dual method could be useful in finding a
generalization to the case of a generalized free differential algebra, which
may be relevant for physical applications in, e.g., higher-spin gauge theories
Role of quantum fluctuations on spin liquids and ordered phases in the Heisenberg model on the honeycomb lattice
Motivated by the rich physics of honeycomb magnetic materials, we obtain the
phase diagram and analyze magnetic properties of the spin-1/2 and spin-1
J1-J2-J3 Heisenberg model on the honeycomb lattice. Based on the SU(2) and
SU(3) symmetry representations of the Schwinger boson approach, which treats
disordered spin liquids and magnetically ordered phases on an equal footing, we
obtain the complete phase diagrams in the (J2,J3)plane. This is achieved using
a fully unrestricted approach which does not assume any pre-defined Ansatze.
For S=1/2, we find a quantum spin liquid (QSL) stabilized between the N\'eel,
spiral and collinear antiferromagnetic phases in agreement with previous
theoretical work. However, by increasing S from 1/2 to 1, the QSL is quickly
destroyed due to the weakening of quantum fluctuations indicating that the
model already behaves as a quasi-classical system. The dynamical structure
factors and temperature dependence of the magnetic susceptibility are obtained
in order to characterize all phases in the phase diagrams. Moreover, motivated
by the relevance of the single-ion anisotropy, D, to various S=1 honeycomb
compounds, we have analyzed the destruction of magnetic order based on a SU(3)
representation of the Schwinger bosons. Our analysis provides a unified
understanding of the magnetic properties of honeycomb materials realizing the
J1-J2-J3 Heisenberg model from the strong quantum spin regime at S=1/2 to the
S=1 case. Neutron scattering and magnetic susceptibility experiments can be
used to test the destruction of the QSL phase when replacing S=1/2 by S=1
localized moments in certain honeycomb compounds.Comment: 12 pages, 6 figure
Phonon anomalies due to strong electronic correlations in layered organic metals
We show how the coupling between the phonons and electrons in a strongly
correlated metal can result in phonon frequencies which have a non-monotonic
temperature dependence. Dynamical mean-field theory is used to study the
Hubbard-Holstein model that describes the \kappa-(BEDT-TTF)_2 X family of
superconducting molecular crystals. The crossover with increasing temperature
from a Fermi liquid to a bad metal produces phonon anomalies that are
consistent with recent Raman scattering and acoustic experiments.Comment: 6 pages, 3 eps figure
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