360 research outputs found
Optical spectroscopy of (La,Ca)14Cu24O41 spin ladders: comparison of experiment and theory
Transmission and reflectivity of La_x Ca_14-x Cu_24 O_41 two-leg spin-1/2
ladders were measured in the mid-infrared regime between 500 and 12000 1/cm.
This allows us to determine the optical conductivity sigma_1 directly and with
high sensitivity. Here we show data for x=4 and 5 with the electrical field
polarized parallel to the rungs (E||a) and to the legs (E||c). Three
characteristic peaks are identified as magnetic excitations by comparison with
two different theoretical calculations.Comment: 4 pages, 2 figures, submitted to SCES 200
Hole-Doping Effects on a Two-dimensional Kondo Insulator
We study the effects of hole doping on the two-dimensional Heisenberg-Kondo
model around the quantum critical point, where the spin liquid phase (Kondo
insulator) and the magnetically ordered phase are separated via a second-order
phase transition. By means of the self-consistent Born approximation within the
bond operator formalism as well as the standard spin wave theory, we discuss
dynamical properties of a doped hole. It is clarified that a quasi-particle
state stabilized in the spin liquid phase is gradually obscured as the system
approaches the quantum critical point. This is also the case for the
magnetically ordered phase. We argue the similarity and the difference between
these two cases.Comment: 8 pages, 14 figure
Hole Dispersions for Antiferromagnetic Spin-1/2 Two-Leg Ladders by Self-Similar Continuous Unitary Transformations
The hole-doped antiferromagnetic spin-1/2 two-leg ladder is an important
model system for the high- superconductors based on cuprates. Using the
technique of self-similar continuous unitary transformations we derive
effective Hamiltonians for the charge motion in these ladders. The key
advantage of this technique is that it provides effective models explicitly in
the thermodynamic limit. A real space restriction of the generator of the
transformation allows us to explore the experimentally relevant parameter
space. From the effective Hamiltonians we calculate the dispersions for single
holes. Further calculations will enable the calculation of the interaction of
two holes so that a handle of Cooper pair formation is within reach.Comment: 16 pages, 26 figure
Magnetism of a tetrahedral cluster spin-chain
We discuss the magnetic properties of a dimerized and completely frustrated
tetrahedral spin-1/2 chain. Using a combination of exact diagonalization and
bond-operator theory the quantum phase diagram is shown to incorporate a
singlet-product, a dimer, and a Haldane phase. In addition we consider one-,
and two-triplet excitations in the dimer phase and evaluate the magnetic Raman
cross section which is found to be strongly renormalized by the presence of a
two-triplet bound state. The link to a novel tellurate materials is clarified.Comment: 8 pages, 8 figure
Modelling excited states of weakly bound complexes with density functional theory
The binding within the ethene-argon and formaldehyde-methane complexes in the ground and electronically excited states is studied with equation of motion coupled cluster theory (EOM-CCSD), second-order Møller-Plesset perturbation theory (MP2) and density functional theory with dispersion corrections (DFT-D). Electronically excited states are studied within MP2 and Kohn-Sham DFT formalisms by exploiting a procedure called the maximum overlap method that allows convergence of the relevant self-consistent field equations to higher energy (or excited state) solutions. Potential energy curves computed using MP2 are in good agreement with the EOM- CCSD calculations for both the valence and Rydberg excited states studied. For the DFT-D approach, B3LYP-D3/aug-cc-pVTZ calculations are found to be in agreement with EOM-CCSD for the ground and valence excited states. However, for the π3s Rydberg state of ethene-argon and the n3s Rydberg state of formaldehyde-methane significant deviation is observed, and this disagreement with EOM-CCSD is present for a variety of DFT-D based approaches. Variation of the parameters within the D2 dispersion correction results in closer agreement with EOM-CCSD for the Rydberg states but demonstrates that a different parameterisation from the ground state is required for these states. This indicates that time-dependent density functional theory calculations based upon a DFT-D reference may be satisfactory for excitations to valence states, but will potentially be inaccurate for excitations to Rydberg states, or more generally states were the nature of the electron density is significantly different from the ground state
Thyroid Stimulating Hormone Receptor (TSHR) Intron 1 Variants Are Major Risk Factors for Graves' Disease in Three European Caucasian Cohorts
BACKGROUND: The thyroid stimulating hormone receptor (TSHR) gene is an established susceptibility locus for Graves' disease (GD), with recent studies refining association to two single nucleotide polymorphisms (SNPs), rs179247 and rs12101255, within TSHR intron 1. METHODOLOGY AND PRINCIPAL FINDINGS: We aimed to validate association of rs179247 and rs12101255 in Polish and UK Caucasian GD case-control subjects, determine the mode of inheritance and to see if association correlates with specific GD clinical manifestations. We investigated three case-control populations; 558 GD patients and 520 controls from Warsaw, Poland, 196 GD patients and 198 controls from Gliwice, Poland and 2504 GD patients from the UK National collection and 2784 controls from the 1958 British Birth cohort. Both rs179247 (P = 1.2×10(-2)-6.2×10(-15), OR = 1.38-1.45) and rs12101255 (P = 1.0×10(-4)-3.68×10(-21), OR = 1.47-1.87) exhibited strong association with GD in all three cohorts. Logistic regression suggested association of rs179247 is secondary to rs12101255 in all cohorts. Inheritance modeling suggested a co-dominant mode of inheritance in all cohorts. Genotype-phenotype correlations provided no clear evidence of association with any specific clinical characteristics. CONCLUSIONS: We have validated association of TSHR intron 1 SNPs with GD in three independent European cohorts and have demonstrated that the aetiological variant within the TSHR is likely to be in strong linkage disequilibrium with rs12101255. Fine mapping is now required to determine the exact location of the aetiological DNA variants within the TSHR
Hole Dynamics in the Orthogonal-Dimer Spin System
The dynamics of a doped hole in the orthogonal-dimer spin system is
investigated systematically in one, two and three dimensions. By combining the
bond-operator method with the self-consistent
Born approximation, we argue that a dispersive quasi-particle state in the
dimer phase is well defined even for quasi-two-dimensional systems. On the
other hand, a doped hole in the plaquette-singlet phase hardly itinerates,
forming an almost localized mode. We further clarify that although the
quasi-particle weight in the dimer phase is decreased in the presence of the
interchain coupling, it is not suppressed but even enhanced upon the
introduction of the interlayer coupling.Comment: 8 pages, 10 figure
Dynamical structure factors of the magnetization-plateau state in the bond-alternating spin chain with a next-nearest-neighbor interaction
We calculate the dynamical structure factors of the magnetization-plateau
state in the bond-alternating spin chain with a next-nearest-neighbor
interaction. The results show characteristic behaviors depending on the
next-nearest-neighbor interaction and the bond-alternation .
We discuss the lower excited states in comparison with the exact excitation
spectrums of an effective Hamiltonian. From the finite size effects,
characteristics of the lowest excited states are investigated. The
dispersionless mode of the lowest excitation appears in adequate sets of
and , indicating that the lowest excitation is localized
spatially and forms an isolated mode below the excitation continuum. We further
calculate the static structure factors. The largest intensity is located at
for small in fixed . With increasing , the
wavenumber of the largest intensity shifts towards , taking the
incommensurate value.Comment: to appear in Phys. Rev. B (2001
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