Peierls Instabilities in Quasi-One-Dimensional Quantum Double-Well Chains

Peierls-type instabilities in quarter-filled ($\bar{n}=1/2$) and half-filled ($\bar{n}=1$) quantum double-well hydrogen-bonded chain are investigated analytically in the framework of two-stage orientational-tunnelling model with additional inclusion of the interactions of protons with two different optical phonon branches. It is shown that when the energy of proton-phonon coupling becomes large, the system undergoes a transition to a various types of insulator states. The influence of two different transport amplitudes on ground states properties is studied. The results are compared with the pressure effect experimental investigations in superprotonic systems and hydrogen halides at low temperatures.Comment: 7 pages, RevTeX, 9 eps figure

Spacetime Coarse Grainings in the Decoherent Histories Approach to Quantum Theory

We investigate the possibility of assigning consistent probabilities to sets of histories characterized by whether they enter a particular subspace of the Hilbert space of a closed system during a given time interval. In particular we investigate the case that this subspace is a region of the configuration space. This corresponds to a particular class of coarse grainings of spacetime regions. We consider the arrival time problem and the problem of time in reparametrization invariant theories as for example in canonical quantum gravity. Decoherence conditions and probabilities for those application are derived. The resulting decoherence condition does not depend on the explicit form of the restricted propagator that was problematic for generalizations such as application in quantum cosmology. Closely related is the problem of tunnelling time as well as the quantum Zeno effect. Some interpretational comments conclude, and we discuss the applicability of this formalism to deal with the arrival time problem.Comment: 23 pages, Few changes and added references in v

Orbital order in the low-dimensional quantum spin system TiOCl probed by ESR

We present electron spin resonance data of Ti$^{3+}$ (3$d^1$) ions in single crystals of the novel layered quantum spin magnet TiOCl. The analysis of the g tensor yields direct evidence that the d_{xy} orbital from the t_{2g} set is predominantly occupied and owing to the occurrence of orbital order a linear spin chain forms along the crystallographic b axis. This result corroborates recent theoretical LDA+U calculations of the band structure. The temperature dependence of the parameters of the resonance signal suggests a strong coupling between spin and lattice degrees of freedom and gives evidence for a transition to a nonmagnetic ground state at 67 K.Comment: revised version, accepted for publication in Phys. Rev. B, Rapid Com

4f-spin dynamics in La(2-x-y)Sr(x)Nd(y)CuO(4)

We have performed inelastic magnetic neutron scattering experiments on La(2-x-y)Sr(x)Nd(y)CuO(4) in order to study the Nd 4f-spin dynamics at low energies. In all samples we find at high temperatures a quasielastic line (Lorentzian) with a line width which decreases on lowering the temperature. The temperature dependence of the quasielastic line width Gamma/2(T) can be explained with an Orbach-process, i.e. a relaxation via the coupling between crystal field excitations and phonons. At low temperatures the Nd-4f magnetic response S(Q,omega) correlates with the electronic properties of the CuO(2)-layers. In the insulator La(2-y)Nd(y)CuO(4) the quasielastic line vanishes below 80 K and an inelastic excitation occurs. This directly indicates the splitting of the Nd3+ ground state Kramers doublet due to the static antiferromagnetic order of the Cu moments. In La(1.7-x)Sr(x)Nd(0.3)CuO(4) with x = 0.12, 0.15 and La(1.4-x)Sr(x)Nd(0.6)CuO(4) with x = 0.1, 0.12, 0.15, 0.18 superconductivity is strongly suppressed. In these compounds we observe a temperature independent broad quasielastic line of Gaussian shape below T about 30 K. This suggests a distribution of various internal fields on different Nd sites and is interpreted in the frame of the stripe model. In La(1.8-y)Sr(0.2)Nd(y)CuO(4) (y = 0.3, 0.6) such a quasielastic broadening is not observed even at lowest temperature.Comment: 8 pages, 10 figures included, to appear in Phys. Rev.

Formulae for zero-temperature conductance through a region with interaction

The zero-temperature linear response conductance through an interacting mesoscopic region attached to noninteracting leads is investigated. We present a set of formulae expressing the conductance in terms of the ground-state energy or persistent currents in an auxiliary system, namely a ring threaded by a magnetic flux and containing the correlated electron region. We first derive the conductance formulae for the noninteracting case and then give arguments why the formalism is also correct in the interacting case if the ground state of a system exhibits Fermi liquid properties. We prove that in such systems, the ground-state energy is a universal function of the magnetic flux, where the conductance is the only parameter. The method is tested by comparing its predictions with exact results and results of other methods for problems such as the transport through single and double quantum dots containing interacting electrons. The comparisons show an excellent quantitative agreement.Comment: 18 pages, 18 figures; to appear in Phys. Rev.

Upper critical field for underdoped high-T_c superconductors. Pseudogap and stripe--phase

We investigate the upper critical field in a stripe--phase and in the presence of a phenomenological pseudogap. Our results indicate that the formation of stripes affects the Landau orbits and results in an enhancement of $H_{c2}$. On the other hand, phenomenologically introduced pseudogap leads to a reduction of the upper critical field. This effect is of particular importance when the magnitude of the gap is of the order of the superconducting transition temperature. We have found that a suppression of the upper critical field takes place also for the gap that originates from the charge--density waves.Comment: 7 pages, 5 figure

The Effect of Valproic Acid on Mesenchymal Pluripotent Cell Proliferation and Differentiation in Extracellular Matrices

Valproic acid (2-n-propylpentanoic acid, VPA) is a widely used antiepileptic and anticonvulsant drug. Previous studies have reported that VPA effects osteogenesis in vivo and in vitro, yet it remains unclear whether VPA promotes cell differentiation of osteoblasts derived from mesenchymal cells. The purpose of this study was to clarify the effect of VPA on undifferentiated pluripotent mesenchymal cell proliferation and differentiation into osteoblasts while analyzing the impact of the absence or presence of extracellular matrices (ECMs). Mouse mesenchymal cells were cultured on non-coated plastic, type I collagen-coated, and fibronectin-coated plates in the absence or presence of VPA. A cell proliferation assay was performed in which modified formazan dye content was analyzed and proliferation nuclear antigen (PCNA)-positive cells were counted at various concentrations of VPA. A high concentration of VPA did not clearly alter cell morphology, but large numbers of stress fibers were observed in these cells and the cell proliferation ratio was decreased with positive PCNA counts. In the presence of matrices, the cell proliferation ratio decreased at low VPA concentrations compared with the ratio obtained in the absence of these ECMs. On the other hand, VPA promoted osteoblastic differentiation in the presence of type I collagen. These findings indicate that for undifferentiated mesenchymal cells, VPA promotes a decrease in the cell proliferation rate in the presence of ECMs and promotes osteoblastic differentiation, both of which could provide insight into additional mechanisms of osteoblastic cell differentiation caused by VPA

Numerical study of the thermoelectric power factor in ultra-thin Si nanowires

Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor thermoelectrics such as silicon. Other than the reduction in {\kappa}l, further improvements in the TE figure of merit ZT could potentially originate from the thermoelectric power factor. In this work, we couple the ballistic (Landauer) and diffusive linearized Boltzmann electron transport theory to the atomistic sp3d5s*-spin-orbit-coupled tight-binding (TB) electronic structure model. We calculate the room temperature electrical conductivity, Seebeck coefficient, and power factor of narrow 1D Si nanowires (NWs). We describe the numerical formulation of coupling TB to those transport formalisms, the approximations involved, and explain the differences in the conclusions obtained from each model. We investigate the effects of cross section size, transport orientation and confinement orientation, and the influence of the different scattering mechanisms. We show that such methodology can provide robust results for structures including thousands of atoms in the simulation domain and extending to length scales beyond 10nm, and point towards insightful design directions using the length scale and geometry as a design degree of freedom. We find that the effect of low dimensionality on the thermoelectric power factor of Si NWs can be observed at diameters below ~7nm, and that quantum confinement and different transport orientations offer the possibility for power factor optimization.Comment: 42 pages, 14 figures; Journal of Computational Electronics, 201

The Two-Loop Pinch Technique in the Electroweak Sector

The generalization of the two-loop Pinch Technique to the Electroweak Sector of the Standard Model is presented. We restrict ourselves to the case of conserved external currents, and provide a detailed analysis of both the charged and neutral sectors. The crucial ingredient for this construction is the identification of the parts discarded during the pinching procedure with well-defined contributions to the Slavnov-Taylor identity satisfied by the off-shell one-loop gauge-boson vertices; the latter are nested inside the conventional two-loop self-energies. It is shown by resorting to a set of powerful identities that the two-loop effective Pinch Technique self-energies coincide with the corresponding ones computed in the Background Feynman gauge. The aforementioned identities are derived in the context of the Batalin-Vilkovisky formalism, a fact which enables the individual treatment of the self-energies of the photon and the $Z$-boson. Some possible phenomenological applications are briefly discussed.Comment: 50 pages, uses axodra

Dynamical mean-field approach to materials with strong electronic correlations

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the dynamical mean-field theory (DMFT). The application to four outstanding problems in this field is discussed: (i) we compute the full valence band structure of the charge-transfer insulator NiO by explicitly including the p-d hybridization, (ii) we explain the origin for the simultaneously occuring metal-insulator transition and collapse of the magnetic moment in MnO and Fe2O3, (iii) we describe a novel GGA+DMFT scheme in terms of plane-wave pseudopotentials which allows us to compute the orbital order and cooperative Jahn-Teller distortion in KCuF3 and LaMnO3, and (iv) we provide a general explanation for the appearance of kinks in the effective dispersion of correlated electrons in systems with a pronounced three-peak spectral function without having to resort to the coupling of electrons to bosonic excitations. These results provide a considerable progress in the fully microscopic investigations of correlated electron materials.Comment: 24 pages, 14 figures, final version, submitted to Eur. Phys. J. for publication in the Special Topics volume "Cooperative Phenomena in Solids: Metal-Insulator Transitions and Ordering of Microscopic Degrees of Freedom