7,683 research outputs found
Dynamical reduction of the dimensionality of exchange interactions and the "spin-liquid" phase of -(BEDT-TTF)
We show that the anisotropy of the effective spin model for the dimer Mott
insulator phase of -(BEDT-TTF) salts is dramatically different
from that of the underlying tight-binding model. Intra-dimer quantum
interference results in a model of coupled spin chains, where frustrated
interchain interactions suppress long-range magnetic order. Thus, we argue, the
"spin liquid" phase observed in some of these materials is a remnant of the
Tomonaga-Luttinger physics of a single chain. This is consistent with previous
experiments and resolves some outstanding puzzles. An erratum [Phys. Rev. Lett.
120, 199901 (2018).] is added as an appendix.Comment: Accepted by PRL, 6 pages, 5 figure
Role of surface states in STM spectroscopy of (111) metal surfaces with Kondo adsorbates
A nearly-free-electron (NFE) model to describe STM spectroscopy of (111)
metal surfaces with Kondo impurities is presented. Surface states are found to
play an important role giving a larger contribution to the conductance in the
case of Cu(111) and Au(111) than Ag(111) surfaces. This difference arises from
the farther extension of the Ag(111) surface state into the substrate. The
different line shapes observed when Co is adsorbed on different substrates can
be explained from the position of the surface band onset relative to the Fermi
energy. The lateral dependence of the line shape amplitude is found to be
bulk-like for R|| < 4 Amstrongs and surface-like at larger distances, in
agreement with experimental data.Comment: 4 pages, 3 eps figure
Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2
We investigate an effective Hamiltonian for Na0.5CoO2 that includes the
electrostatic potential due to the ordered Na ions and strong electronic
correlations. This model displays a subtle interplay between metallic and
insulating phases and between charge and magnetic order. For realistic
parameters, the model predicts an insulating phase with similarities to a
covalent insulator. We show that this interpretation gives a consistent
explanation of experiments on Na0.5CoO2, including the small degree of charge
ordering, the small charge gap, the large moment, and the optical conductivity.Comment: 5 pages, 4 figures. Text revised making more emphasis on model
properties. Figures compacte
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)}
Electronic and magnetic properties of the ionic Hubbard model on the striped triangular lattice at 3/4 filling
We report a detailed study of a model Hamiltonian which exhibits a rich
interplay of geometrical spin frustration, strong electronic correlations, and
charge ordering. The character of the insulating phase depends on the magnitude
of Delta/|t| and on the sign of t. We find a Mott insulator for Delta >> U >>
|t|; a charge transfer insulator for U >> \Delta >> |t|; and a correlated
covalent insulator for U >> \Delta ~ |t|. The charge transfer insulating state
is investigated using a strong coupling expansion. The frustration of the
triangular lattice can lead to antiferromagnetism or ferromagnetism depending
on the sign of the hopping matrix element, t. We identify the "ring" exchange
process around a triangular plaquette which determines the sign of the magnetic
interactions. Exact diagonalization calculations are performed on the model for
a wide range of parameters and compared to the strong coupling expansion. The
regime U >> \Delta ~ |t| and t<0 is relevant to Na05CoO2. The calculated
optical conductivity and the spectral density are discussed in the light of
recent experiments on Na05CoO2.Comment: 15 pages, 15 figure
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