3,273 research outputs found
Electron energy spectrum of the spin-liquid state in a frustrated Hubbard model
Non-local correlation effects in the half-filled Hubbard model on an
isotropic triangular lattice are studied within a spin polarized extension of
the dual fermion approach. A competition between the antiferromagnetic
non-collinear and the spin liquid states is strongly enhanced by an
incorporation of a k-dependent self-energy beyond the local dynamical
mean-field theory. The dual fermion correc- tions drastically decrease the
energy of a spin liquid state while leaving the non-collinear magnetic states
almost non-affected. This makes the spin liquid to become a preferable state in
a certain interval of interaction strength of an order of the magnitude of a
bandwidth. The spectral function of the spin-liquid Mott insulator is
determined by a formation of local singlets which results in the energy gap of
about twice larger than that of the 120 degrees antiferromagnetic Neel state.Comment: 6 pages, 4 figure
Plasmons in strongly correlated systems: spectral weight transfer and renormalized dispersion
We study the charge-density dynamics within the two-dimensional extended
Hubbard model in the presence of long-range Coulomb interaction across the
metal-insulator transition point. To take into account strong correlations we
start from self-consistent extended dynamical mean-field theory and include
non-local dynamical vertex corrections through a ladder approximation to the
polarization operator. This is necessary to fulfill charge conservation and to
describe plasmons in the correlated state. The calculated plasmon spectra are
qualitatively different from those in the random-phase approximation: they
exhibit a spectral density transfer and a renormalized dispersion with enhanced
deviation from the canonical -behavior. Both features are reminiscent
of interaction induced changes found in single-electron spectra of strongly
correlated systems.Comment: 5 pages, 5 figures + appendix (3 pages, 1 figure
Self-consistent Dual Boson approach to single-particle and collective excitations in correlated systems
We propose an efficient dual boson scheme, which extends the DMFT paradigm to
collective excitations in correlated systems. The theory is fully
self-consistent both on the one- and on the two-particle level, thus describing
the formation of collective modes as well as the renormalization of electronic
and bosonic spectra on equal footing. The method employs an effective impurity
model comprising both fermionic and bosonic hybridization functions. Only
single- and two-electron Green's functions of the reference problem enter the
theory, due to the optimal choice of the self-consistency condition for the
effective bosonic bath. We show that the theory is naturally described by a
dual Luttinger-Ward functional and obeys the relevant conservation laws.Comment: 17 pages, 12 figure
Conservation in two-particle self-consistent extensions of dynamical-mean-field-theory
Extensions of dynamical-mean-field-theory (DMFT) make use of quantum impurity
models as non-perturbative and exactly solvable reference systems which are
essential to treat the strong electronic correlations. Through the introduction
of retarded interactions on the impurity, these approximations can be made
two-particle self-consistent. This is of interest for the Hubbard model,
because it allows to suppress the antiferromagnetic phase transition in
two-dimensions in accordance with the Mermin-Wagner theorem, and to include the
effects of bosonic fluctuations. For a physically sound description of the
latter, the approximation should be conserving. In this paper we show that the
mutual requirements of two-particle self-consistency and conservation lead to
fundamental problems. For an approximation that is two-particle self-consistent
in the charge- and longitudinal spin channel, the double occupancy of the
lattice and the impurity are no longer consistent when computed from
single-particle properties. For the case of self-consistency in the charge- and
longitudinal as well as transversal spin channels, these requirements are even
mutually exclusive so that no conserving approximation can exist. We illustrate
these findings for a two-particle self-consistent and conserving DMFT
approximation.Comment: 17 pages, 9 figure
Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals
Spatial and time scales of spin density fluctuations (SDF) were analyzed in
3d ferromagnets using ab initio linear response calculations of complete
wavevector and energy dependence of the dynamic spin susceptibility tensor. We
demonstrate that SDF are spread continuously over the entire Brillouin zone and
while majority of them reside within the 3d bandwidth, a significant amount
comes from much higher energies. A validity of the adiabatic approximation in
spin dynamics is discussed. The SDF spectrum is shown to have two main
constituents: a minor low-energy spin wave contribution and a much larger
high-energy component from more localized excitations. Using the
fluctuation-dissipation theorem (FDT), the on-site spin correlator (SC) and the
related effective fluctuating moment were properly evaluated and their
universal dependence on the 3d band population is further discussed
Magnetism and local distortions near carbon impurity in -iron
Local perturbations of crystal and magnetic structure of -iron near
carbon interstitial impurity is investigated by {\it ab initio} electronic
structure calculations. It is shown that the carbon impurity creates locally a
region of ferromagnetic ordering with substantial tetragonal distortions.
Exchange integrals and solution enthalpy are calculated, the latter being in a
very good agreement with experimental data. Effect of the local distortions on
the carbon-carbon interactions in -iron is discussed.Comment: 4 pages 3 figures. Final version, accepted to Phys.Rev. Let
k-dependent spectrum and optical conductivity near metal-insulator transition in multi-orbital Hubbard bands
We apply the dynamical mean field theory (DMFT) in the iterative perturbation
theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a
simple cubic lattice and calculate the spectrum and optical conductivity in
arbitrary electron occupation. The spectrum simultaneously shows the effects of
multiplet structure and DMFT together with the electron ionization and affinity
levels of different electron occupations, coherent peaks at the Fermi energy in
the metallic phase and a gap at an integer filling of electrons for
sufficiently large Coulomb U. We also calculate the critical value of the
Coulomb U for degenerate orbitals.Comment: 8 pages, 6 figure
Nationwide population-based cohort study of psychiatric disorders in individuals with Ehlers-Danlos syndrome or hypermobility syndrome and their siblings
Background: To assess the risk of psychiatric disorders in Ehlers-Danlos syndrome (EDS) and hypermobility syndrome.
Methods: Nationwide population-based matched cohort study. EDS, hypermobility syndrome and psychiatric disorders
were identified through Swedish national registries. Individuals with EDS (n = 1,771) were matched with comparison
individuals (n = 17,710). Further, siblings to individuals with EDS who did not have an EDS diagnosis themselves were
compared with matched comparison siblings. Using conditional logistic regression, risk of autism spectrum disorder
(ASD), bipolar disorder, attention deficit hyperactivity disorder (ADHD), depression, attempted suicide, suicide
and schizophrenia were estimated. The same analyses were conducted in individuals with hypermobility syndrome
(n = 10,019) and their siblings.
Results: EDS was associated with ASD: risk ratio (RR) 7.4, 95 % confidence interval (95 % CI) 5.2–10.7; bipolar disorder:
RR 2.7, CI 1.5–4.7; ADHD: RR 5.6, CI 4.2–7.4; depression: RR 3.4, 95 % CI 2.9–4.1; and attempted suicide: RR 2.1, 95 % CI 1.
7–2.7, but not with suicide or schizophrenia. EDS siblings were at increased risk of ADHD: RR 2.1, 95 % CI 1.4–3.3;
depression: RR 1.5, 95 % CI 1.1–1.8; and suicide attempt: RR 1.8, 95 % CI 1.4–2.3. Similar results were observed for
individuals with hypermobility syndrome and their siblings.
Conclusions: Individuals with EDS and hypermobility syndrome are at increased risks of being diagnosed with
psychiatric disorders. These risk increases may have a genetic and/or early environmental background as suggested by evidence showing that siblings to patients have elevated risks of certain psychiatric disorders.NonePublishe
Magnetic susceptibility, exchange interactions and spin-wave spectra in the local spin density approximation
Starting from exact expression for the dynamical spin susceptibility in the
time-dependent density functional theory a controversial issue about exchange
interaction parameters and spin-wave excitation spectra of itinerant electron
ferromagnets is reconsidered. It is shown that the original expressions for
exchange integrals based on the magnetic force theorem (J. Phys. F14 L125
(1984)) are optimal for the calculations of the magnon spectrum whereas static
response function is better described by the ``renormalized'' magnetic force
theorem by P. Bruno (Phys. Rev. Lett. 90, 087205 (2003)). This conclusion is
confirmed by the {\it ab initio} calculations for Fe and Ni.Comment: 12 pages, 2 figures, submitted to JPC
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