Possible Localized Modes in the Uniform Quantum Heisenberg Chains of Sr2CuO3

A model of mobile-bond defects is tentatively proposed to analyze the "anomalies" observed on the NMR spectrum of the quantum Heisenberg chains of Sr2CuO3. A bond-defect is a local change in the exchange coupling. It results in a local alternating magnetization (LAM), which when the defect moves, creates a flipping process of the local field seen by each nuclear spin. At low temperature, when the overlap of the LAM becomes large, the defects form a periodic structure, which extends over almost all the chains. In that regime, the density of bond-defects decreases linearly with T.Comment: 4 pages + 3 figures. To appear in Physical Review

Exact soliton solution and inelastic two-soliton collision in spin chain driven by a time-dependent magnetic field

We investigate dynamics of exact N-soliton trains in spin chain driven by a time-dependent magnetic field by means of an inverse scattering transformation. The one-soliton solution indicates obviously the spin precession around the magnetic field and periodic shape-variation induced by the time varying field as well. In terms of the general soliton solutions N-soliton interaction and particularly various two-soliton collisions are analyzed. The inelastic collision by which we mean the soliton shape change before and after collision appears generally due to the time varying field. We, moreover, show that complete inelastic collisions can be achieved by adjusting spectrum and field parameters. This may lead a potential technique of shape control of soliton.Comment: 5 pages, 5 figure

Swinging Atwood's Machine: Experimental and Theoretical Studies

A Swinging Atwood Machine (SAM) is built and some experimental results concerning its dynamic behaviour are presented. Experiments clearly show that pulleys play a role in the motion of the pendulum, since they can rotate and have non-negligible radii and masses. Equations of motion must therefore take into account the inertial momentum of the pulleys, as well as the winding of the rope around them. Their influence is compared to previous studies. A preliminary discussion of the role of dissipation is included. The theoretical behaviour of the system with pulleys is illustrated numerically, and the relevance of different parameters is highlighted. Finally, the integrability of the dynamic system is studied, the main result being that the Machine with pulleys is non-integrable. The status of the results on integrability of the pulley-less Machine is also recalled.Comment: 37 page

Random Mass Dirac Fermions in Doped Spin-Peierls and Spin-Ladder systems: One-Particle Properties and Boundary Effects

Quasi-one-dimensional spin-Peierls and spin-ladder systems are characterized by a gap in the spin-excitation spectrum, which can be modeled at low energies by that of Dirac fermions with a mass. In the presence of disorder these systems can still be described by a Dirac fermion model, but with a random mass. Some peculiar properties, like the Dyson singularity in the density of states, are well known and attributed to creation of low-energy states due to the disorder. We take one step further and study single-particle correlations by means of Berezinskii's diagram technique. We find that, at low energy $\epsilon$, the single-particle Green function decays in real space like $G(x,\epsilon) \propto (1/x)^{3/2}$. It follows that at these energies the correlations in the disordered system are strong -- even stronger than in the pure system without the gap. Additionally, we study the effects of boundaries on the local density of states. We find that the latter is logarithmically (in the energy) enhanced close to the boundary. This enhancement decays into the bulk as $1/\sqrt{x}$ and the density of states saturates to its bulk value on the scale $L_\epsilon \propto \ln^2 (1/\epsilon)$. This scale is different from the Thouless localization length $\lambda_\epsilon\propto\ln (1/\epsilon)$. We also discuss some implications of these results for the spin systems and their relation to the investigations based on real-space renormalization group approach.Comment: 26 pages, LaTex, 9 PS figures include

CuSiO_3 : a quasi - one - dimensional S=1/2 antiferromagnetic chain system

CuSiO_3, isotypic to the spin - Peierls compound CuGeO_3, was discovered recently as a metastable decomposition product of the silicate mineral dioptase, Cu_6Si_6O_{18}\cdot6H_2O. We investigated the physical properties of CuSiO_3 using susceptibility, magnetization and specific heat measurements on powder samples. The magnetic susceptibility \chi(T) is reproduced very well above T = 8 K by theoretical calculations for an S=1/2 antiferromagnetic Heisenberg linear chain without frustration (\alpha = 0) and a nearest - neighbor exchange coupling constant of J/k_{B} = 21 K, much weaker than in CuGeO_3. Below 8 K the susceptibility exhibits a substantial drop. This feature is identified as a second - order phase transition at T_{0} = 7.9 K by specific heat measurements. The influence of magnetic fields on T_{0} is weak, and ac - magnetization measurements give strong evidence for a spin - flop - phase at \mu_0H_{SF} ~ 3 T. The origin of the magnetic phase transition at T_{0} = 7.9 K is discussed in the context of long - range antiferromagnetic order (AF) versus spin - Peierls(SP)order. Susceptibility and specific heat results support the AF ordered ground state. Additional temperature dependent ^{63,65}Cu nuclear quadrupole resonance experiments have been carried out to probe the Cu^{2+} electronic state and the spin dynamics in CuSiO_3

Revival of the spin-Peierls transition in Cu_xZn_(1-x)GeO_3 under pressure

Pressure and temperature dependent susceptibility and Raman scattering experiments on single crystalline Cu_xZn_(1-x)GeO_3 have shown an unusually strong increase of the spin-Peierls phase transition temperature upon applying hydrostatic pressure. The large positive pressure coefficient (7.5 K/GPa) - almost twice as large as for the pure compound (4.5 K/GPa) - is interpreted as arising due to an increasing magnetic frustration which decreases the spin-spin correlation length, and thereby weakens the influence of the non-magnetic Zn-substitution.Comment: LaTeX, 15 pages, 5 eps figures, Phys. Rev. B, to appea

First principles electronic structure of spinel LiCr2O4: A possible half-metal?

We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5} electronic configuration. The cell (cubic) and internal (oxygen position) structural parameters have been obtained for this compound through structural relaxation in the first-principles framework. Within the one-electron band picture, we find that LiCr2O4 is magnetic, and a candidate half-metal. The electronic structure is substantially different from the closely related and well known rutile half-metal CrO2. In particular, we find a smaller conduction band width in the spinel compound, perhaps as a result of the distinct topology of the spinel crystal structure, and the reduced oxidation state. The magnetism and half-metallicity of LiCr2O4 has been mapped in the parameter space of its cubic crystal structure. Comparisons with superconducting LiTi2O4 (d^{0.5}), heavy-fermion LiV2O4 (d^{1.5}) and charge-ordering LiMn2O4 (d^{3.5}) suggest the effectiveness of a nearly-rigid band picture involving simple shifts of the position of E_F in these very different materials. Comparisons are also made with the electronic structure of ZnV2O4 (d^{2}), a correlated insulator that undergoes a structural and antiferromagnetic phase transition.Comment: 9 pages, 7 Figures, version as published in PR

Electronic structure, phase stability and chemical bonding in Th2_2Al and Th2_2AlH4_4

We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential density-functional calculations. Th$_2$AlH$_4$ has been reported to violate the "2 \AA rule" of H-H separation in hydrides. From our total energy as well as force-minimization calculations, we found a shortest H-H separation of 1.95 {\AA} in accordance with recent high resolution powder neutron diffraction experiments. When the Th$_2$Al matrix is hydrogenated, the volume expansion is highly anisotropic, which is quite opposite to other hydrides having the same crystal structure. The bonding nature of these materials are analyzed from the density of states, crystal-orbital Hamiltonian population and valence-charge-density analyses. Our calculation predicts different nature of bonding for the H atoms along $a$ and $c$. The strongest bonding in Th$_2$AlH$_4$ is between Th and H along $c$ which form dumb-bell shaped H-Th-H subunits. Due to this strong covalent interaction there is very small amount of electrons present between H atoms along $c$ which makes repulsive interaction between the H atoms smaller and this is the precise reason why the 2 {\AA} rule is violated. The large difference in the interatomic distances between the interstitial region where one can accommodate H in the $ac$ and $ab$ planes along with the strong covalent interaction between Th and H are the main reasons for highly anisotropic volume expansion on hydrogenation of Th$_2$Al.Comment: 14 pages, 9 figure

Ab initio investigation of VOSeO3, a spin gap system with coupled spin dimers

Motivated by an early experimental study of VOSeO3, which suggested that it is a quasi-2D system of weakly coupled spin dimers with a small spin gap, we have investigated the electronic structure of this material via density-functional calculations. These ab initio results indicate that the system is better thought of as an alternating spin-1/2 chain with moderate interchain interactions, an analog of (VO)2P2O7. The potential interest of this system for studies in high magnetic field given the presumably small value of the spin gap is emphasized.Comment: 4 pages, 5 figure

Soliton Lattices in the Incommensurate Spin-Peierls Phase: Local Distortions and Magnetizations

It is shown that nonadiabatic fluctuations of the soliton lattice in the spin-Peierls system CuGeO_3 lead to an important reduction of the NMR line widths. These fluctuations are the zero-point motion of the massless phasonic excitations. Furthermore, we show that the discrepancy of X-ray and NMR soliton widths can be understood as the difference between a distortive and a magnetic width. Their ratio is controlled by the frustration of the spin system. By this work, theoretical and experimental results can be reconciled in two important points.Comment: 9 pages, 5 figures included, Revtex submitted to Physical Review