Dynamical Structure Factors of the S=1/2 Bond-Alternating Spin Chain with a Next-Nearest-Neighbor Interaction in Magnetic Fields

The dynamical structure factor of the S=1/2 bond-alternating spin chain with a next-nearest-neighbor interaction in magnetic field is investigated using the continued fraction method based on the Lanczos algorithm. When the plateau exists on the magnetization curve, the longitudinal dynamical structure factor shows a large intensity with a periodic dispersion relation, while the transverse one shows a large intensity with an almost dispersionless mode. The periodicity and the amplitude of the dispersion relation in the longitudinal dynamical structure factor are sensitive to the coupling constants. The dynamical structure factor of the S=1/2 two-leg ladder in magnetic field is also calculated in the strong interchain-coupling regime. The dynamical structure factor shows gapless or gapful behavior depending on the wave vector along the rung.Comment: 8 pages, 4 figures, to appear in Journal of the Physical Society of Japan, vol. 69, no. 10, (2000

Guardians Ad Litem as Surrogate Parents: Implication for Role Definition and Confidentiality

SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for the simulation of electron dynamics and optical properties of molecules, nanostructures, and crystalline solids based on first-principles time-dependent density functional theory. The core part of the software is the real-time, real-space calculation of the electron dynamics induced in molecules and solids by an external electric field solving the time-dependent Kohn–Sham equation. Using a weak instantaneous perturbing field, linear response properties such as polarizabilities and photoabsorptions in isolated systems and dielectric functions in periodic systems are determined. Using an optical laser pulse, the ultrafast electronic response that may be highly nonlinear in the field strength is investigated in time domain. The propagation of the laser pulse in bulk solids and thin films can also be included in the simulation via coupling the electron dynamics in many microscopic unit cells using Maxwell’s equations describing the time evolution of the electromagnetic fields. The code is efficiently parallelized so that it may describe the electron dynamics in large systems including up to a few thousand atoms. The present paper provides an overview of the capabilities of the software package showing several sample calculations. Program summary Program Title: SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience Program Files doi:http://dx.doi.org/10.17632/8pm5znxtsb.1 Licensing provisions: Apache-2.0 Programming language: Fortran 2003 Nature of problem: Electron dynamics in molecules, nanostructures, and crystalline solids induced by an external electric field is calculated based on first-principles time-dependent density functional theory. Using a weak impulsive field, linear optical properties such as polarizabilities, photoabsorptions, and dielectric functions are extracted. Using an optical laser pulse, the ultrafast electronic response that may be highly nonlinear with respect to the exciting field strength is described as well. The propagation of the laser pulse in bulk solids and thin films is considered by coupling the electron dynamics in many microscopic unit cells using Maxwell’s equations describing the time evolution of the electromagnetic field. Solution method: Electron dynamics is calculated by solving the time-dependent Kohn–Sham equation in real time and real space. For this, the electronic orbitals are discretized on a uniform Cartesian grid in three dimensions. Norm-conserving pseudopotentials are used to account for the interactions between the valence electrons and the ionic cores. Grid spacings in real space and time, typically 0.02 nm and 1 as respectively, determine the spatial and temporal resolutions of the simulation results. In most calculations, the ground state is first calculated by solving the static Kohn–Sham equation, in order to prepare the initial conditions. The orbitals are evolved in time with an explicit integration algorithm such as a truncated Taylor expansion of the evolution operator, together with a predictor–corrector step when necessary. For the propagation of the laser pulse in a bulk solid, Maxwell’s equations are solved using a finite-difference scheme. By this, the electric field of the laser pulse and the electron dynamics in many microscopic unit cells of the crystalline solid are coupled in a multiscale framework

Nonlinear Parabolic Equations arising in Mathematical Finance

This survey paper is focused on qualitative and numerical analyses of fully nonlinear partial differential equations of parabolic type arising in financial mathematics. The main purpose is to review various non-linear extensions of the classical Black-Scholes theory for pricing financial instruments, as well as models of stochastic dynamic portfolio optimization leading to the Hamilton-Jacobi-Bellman (HJB) equation. After suitable transformations, both problems can be represented by solutions to nonlinear parabolic equations. Qualitative analysis will be focused on issues concerning the existence and uniqueness of solutions. In the numerical part we discuss a stable finite-volume and finite difference schemes for solving fully nonlinear parabolic equations.Comment: arXiv admin note: substantial text overlap with arXiv:1603.0387

Direct Observation of Field-Induced Incommensurate Fluctuations in a One-Dimensional S=1/2 Antiferromagnet

Neutron scattering from copper benzoate, Cu(C6D5COO)2 3D2O, provides the first direct experimental evidence for field-dependent incommensurate low energy modes in a one-dimensional spin S = 1/2 antiferromagnet. Soft modes occur for wavevectors q=\pi +- dq(H) where dq(H) ~ 2 \pi M(H)/g\mu_B as predicted by Bethe ansatz and spinon descriptions of the S = 1/2 chain. Unexpected was a field-induced energy gap $\Delta(H) \propto H^\alpha$, where $\alpha = 0.65(3)$ as determined from specific heat measurements. At H = 7 T (g\mu_B H/J = 0.52), the magnitude of the gap varies from 0.06 - 0.3 J depending on the orientation of the applied field.Comment: 11 pages, 5 postscript figures, LaTeX, Submitted to PRL 3/31/97, e-mail comments to [email protected]

A neutron scattering study of two-magnon states in the quantum magnet copper nitrate

We report measurements of the two-magnon states in a dimerized antiferromagnetic chain material, copper nitrate (Cu(NO3)2*2.5D2O). Using inelastic neutron scattering we have measured the one and two magnon excitation spectra in a large single crystal. The data are in excellent agreement with a perturbative expansion of the alternating Heisenberg Hamiltonian from the strongly dimerized limit. The expansion predicts a two-magnon bound state for q ~ (2n+1)pi*d which is consistent with the neutron scattering data.Comment: 11 pages of revtex style with 6 figures include

Dynamical Structure Factors of the Spin-1/2 XXZ Chain with Inverse-Square Exchange and Ising Anisotropy

The dynamical properties of the S=1/2 antiferromagnetic XXZ chain are studied by the exact diagonalization and the recursion method of finite systems up to 24 sites. Two types of the exchange interaction are considered: one is the nearest-neighbor type, and the other is the inverse-square one. As the Ising anisotropy becomes larger, there appears a noticeable difference in the transverse component S^{xx}(q,\omega) between the two types of the exchange. For the nearest-neighbor type, the peak frequency of S^{xx}(q,\omega) for each q approaches the center of the continuum spectrum. On the contrary, the peak frequency for the inverse-square type moves to the upper edge of the continuum, and separates from the continuum for the anisotropy larger than the threshold value. Whether the interaction between domain walls (solitons) is absent or repulsive in the Ising limit leads to this difference in the behavior of S^{xx}(q,\omega). In the longitudinal component S^{zz}(q,\omega), on the other hand, the feature of the dynamics is scarcely different between the two types. The energy gap and the static properties are also discussed.Comment: 10 pages. A hard copy of 16 figures is available on request. Submitted to J. Phys. Soc. Jp

Magnesium reduces calcification in bovine vascular smooth muscle cells in a dose-dependent manner

WOS: 000300421300010PubMed ID: 21750166Vascular calcification (VC), mainly due to elevated phosphate levels, is one major problem in patients suffering from chronic kidney disease. In clinical studies, an inverse relationship between serum magnesium and VC has been reported. However, there is only few information about the influence of magnesium on calcification on a cellular level available. Therefore, we investigated the effect of magnesium on calcification induced by beta-glycerophosphate (BGP) in bovine vascular smooth muscle cells (BVSMCs). BVSMCs were incubated with calcification media for 14 days while simultaneously increasing the magnesium concentration. Calcium deposition, transdifferentiation of cells and apoptosis were measured applying quantification of calcium, von Kossa and Alizarin red staining, real-time reverse transcription-polymerase chain reaction and annexin V staining, respectively. Calcium deposition in the cells dramatically increased with addition of BGP and could be mostly prevented by co-incubation with magnesium. Higher magnesium levels led to inhibition of BGP-induced alkaline phosphatase activity as well as to a decreased expression of genes associated with the process of transdifferentiation of BVSMCs into osteoblast-like cells. Furthermore, estimated calcium entry into the cells decreased with increasing magnesium concentrations in the media. In addition, higher magnesium concentrations prevented cell damage (apoptosis) induced by BGP as well as progression of already established calcification. Higher magnesium levels prevented BVSMC calcification, inhibited expression of osteogenic proteins, apoptosis and further progression of already established calcification. Thus, magnesium is influencing molecular processes associated with VC and may have the potential to play a role for VC also in clinical situations.Fresenius Medical Care Deutschland GmbH, GermanyThis study was supported by Fresenius Medical Care Deutschland GmbH, Germany

Bloch oscillations of magnetic solitons in anisotropic spin-1/2 chains

We study the quantum dynamics of soliton-like domain walls in anisotropic spin-1/2 chains in the presence of magnetic fields. In the absence of fields, domain walls form a Bloch band of delocalized quantum states while a static field applied along the easy axis localizes them into Wannier wave packets and causes them to execute Bloch oscillations, i.e. the domain walls oscillate along the chain with a finite Bloch frequency and amplitude. In the presence of the field, the Bloch band, with a continuum of extended states, breaks up into the Wannier-Zeeman ladder -- a discrete set of equally spaced energy levels. We calculate the dynamical structure factor in the one-soliton sector at finite frequency, wave vector, and temperature, and find sharp peaks at frequencies which are integer multiples of the Bloch frequency. We further calculate the uniform magnetic susceptibility and find that it too exhibits peaks at the Bloch frequency. We identify several candidate materials where these Bloch oscillations should be observable, for example, via neutron scattering measurements. For the particular compound CoCl_2.2H_2O we estimate the Bloch amplitude to be on the order of a few lattice constants, and the Bloch frequency on the order of 100 GHz for magnetic fields in the Tesla range and at temperatures of about 18 Kelvin.Comment: 31 single-spaced REVTeX pages, including 7 figures embedded with eps

Electron Spin Resonance in S=1/2 antiferromagnetic chains

A systematic field-theory approach to Electron Spin Resonance (ESR) in the $S=1/2$ quantum antiferromagnetic chain at low temperature $T$ (compared to the exchange coupling $J$) is developed. In particular, effects of a transverse staggered field $h$ and an exchange anisotropy (including a dipolar interaction) $\delta$ on the ESR lineshape are discussed. In the lowest order of perturbation theory, the linewidth is given as $\propto Jh^2/T^2$ and $\propto (\delta/J)^2 T$, respectively. In the case of a transverse staggered field, the perturbative expansion diverges at lower temperature; non-perturbative effects at very low temperature are discussed using exact results on the sine-Gordon field theory. We also compare our field-theory results with the predictions of Kubo-Tomita theory for the high-temperature regime, and discuss the crossover between the two regimes. It is argued that a naive application of the standard Kubo-Tomita theory to the Dzyaloshinskii-Moriya interaction gives an incorrect result. A rigorous and exact identity on the polarization dependence is derived for certain class of anisotropy, and compared with the field-theory results.Comment: 53 pages in REVTEX, 7 figures in EPS included; revised version with missing references and correction