Dzyaloshinsky-Moriya antisymmetric exchange coupling in cuprates: Oxygen effects

We revisit a problem of Dzyaloshinsky-Moriya antisymmetric exchange coupling for a single bond in cuprates specifying the local spin-orbital contributions to Dzyaloshinsky vector focusing on the oxygen term. The Dzyaloshinsky vector and respective weak ferromagnetic moment is shown to be a superposition of comparable and, sometimes, competing local Cu and O contributions. The intermediate oxygen $^{17}$O Knight shift is shown to be an effective tool to inspect the effects of Dzyaloshinsky-Moriya coupling in an external magnetic field. We predict the effect of $strong$ oxygen weak antiferromagnetism in edge-shared CuO$_2$ chains due to uncompensated oxygen Dzyaloshinsky vectors. Finally, we revisit the effects of symmetric spin anisotropy, in particular, those directly induced by Dzyaloshinsky-Moriya coupling.Comment: 12 pages, 2 figures, submitted to JET

Lattice Distortion and Magnetism of 3d-t2gt_{2g} Perovskite Oxides

Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of first-principles electronic structure calculations. First, we derive parameters of the effective Hubbard-type Hamiltonian for the isolated $t_{2g}$ bands using newly developed downfolding method for the kinetic-energy part and a hybrid approach, based on the combination of the random-phase approximation and the constraint local-density approximation, for the screened Coulomb interaction part. Then, we solve the obtained Hamiltonian using a number of techniques, including the mean-field Hartree-Fock (HF) approximation, the second-order perturbation theory for the correlation energy, and a variational superexchange theory. Even though the crystal-field splitting is not particularly large to quench the orbital degrees of freedom, the crystal distortion imposes a severe constraint on the form of the possible orbital states, which favor the formation of the experimentally observed magnetic structures in YTiO$_3$, YVO_, and LaVO$_3$ even at the HF level. Beyond the HF approximation, the correlations effects systematically improve the agreement with the experimental data. Using the same type of approximations we could not reproduce the correct magnetic ground state of LaTiO$_3$. However, we expect that the situation may change by systematically improving the level of approximations for dealing with the correlation effects.Comment: 30 pages, 17 figures, 8 tables, high-quality figures are available via e-mai

Topological phase separation in 2D quantum lattice Bose-Hubbard system away from half-filling

We suppose that the doping of the 2D hard-core boson system away from half-filling may result in the formation of multi-center topological inhomogeneity (defect) such as charge order (CO) bubble domain(s) with Bose superfluid (BS) and extra bosons both localized in domain wall(s), or a {\it topological} CO+BS {\it phase separation}, rather than an uniform mixed CO+BS supersolid phase. Starting from the classical model we predict the properties of the respective quantum system. The long-wavelength behavior of the system is believed to remind that of granular superconductors, CDW materials, Wigner crystals, and multi-skyrmion system akin in a quantum Hall ferromagnetic state of a 2D electron gas. To elucidate the role played by quantum effects and that of the lattice discreteness we have addressed the simplest nanoscopic counterpart of the bubble domain in a checkerboard CO phase of 2D hc-BH square lattice. It is shown that the relative magnitude and symmetry of multi-component order parameter are mainly determined by the sign of the $nn$ and $nnn$ transfer integrals. In general, the topologically inhomogeneous phase of the hc-BH system away from the half-filling can exhibit the signatures both of $s,d$, and $p$ symmetry of the off-diagonal order.Comment: 12 pages, 6 figure

150-250 MeV electron beams in radiation therapy

High-energy electron beams in the range 150-250 MeV are studied to evaluate the feasibility for radiotherapy. Monte Carlo simulation results from the PENELOPE code are presented and used to determine lateral spread and penetration of these beams. It is shown that the penumbra is comparable to photon beams at depths less than 10 cm and the practical range ( Rp) of these beams is greater than 40 cm. The depth dose distribution of electron beams compares favourably with photon beams. Effects caused by nuclear reactions are evaluated, including increased dose due to neutron production and induced radioactivity resulting in an increased relative biological effectiveness (RBE) factor of <1.03.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/48967/2/m00706.pd

Nonbonding oxygen holes and spinless scenario of magnetic response in doped cuprates

Both theoretical considerations and experimental data point to a more complicated nature of the valence hole states in doped cuprates than it is predicted by Zhang-Rice model. Actually, we deal with a competition of conventional hybrid Cu 3d-O 2p $b_{1g}\propto d_{x^2 -y^2}$ state and purely oxygen nonbonding state with $e_{u}x,y \propto p_{x,y}$ symmetry. The latter reveals a non-quenched Ising-like orbital moment that gives rise to a novel spinless purely oxygen scenario of the magnetic response in doped cuprates with the oxygen localized orbital magnetic moments of the order of tenths of Bohr magneton. We consider the mechanism of ${}^{63,65}$Cu-O 2p transferred orbital hyperfine interactions due to the mixing of the oxygen O 2p orbitals with Cu 3p semicore orbitals. Quantitative estimates point to a large magnitude of the respective contributions both to local field and electric field gradient, and their correlated character.Comment: 7 pages, 1 figur

A simplified model of the source channel of the Leksell Gamma Knife(R)^(R): testing multisource configurations with PENELOPE

A simplification of the source channel geometry of the Leksell Gamma Knife$^{\circledR}$, recently proposed by the authors and checked for a single source configuration (Al-Dweri et al 2004), has been used to calculate the dose distributions along the $x$, $y$ and $z$ axes in a water phantom with a diameter of 160~mm, for different configurations of the Gamma Knife including 201, 150 and 102 unplugged sources. The code PENELOPE (v. 2001) has been used to perform the Monte Carlo simulations. In addition, the output factors for the 14, 8 and 4~mm helmets have been calculated. The results found for the dose profiles show a qualitatively good agreement with previous ones obtained with EGS4 and PENELOPE (v. 2000) codes and with the predictions of GammaPlan$^{\circledR}$. The output factors obtained with our model agree within the statistical uncertainties with those calculated with the same Monte Carlo codes and with those measured with different techniques. Owing to the accuracy of the results obtained and to the reduction in the computational time with respect to full geometry simulations (larger than a factor 15), this simplified model opens the possibility to use Monte Carlo tools for planning purposes in the Gamma Knife$^{\circledR}$.Comment: 13 pages, 8 figures, 5 table

Crystal Field and Dzyaloshinsky-Moriya Interaction in orbitally ordered La_{0.95}Sr_{0.05}MnO_3: An ESR Study

We present a comprehensive analysis of Dzyaloshinsky-Moriya interaction and crystal-field parameters using the angular dependence of the paramagnetic resonance shift and linewidth in single crystals of La_{0.95}Sr_{0.05}MnO_3 within the orthorhombic Jahn-Teller distorted phase. The Dzyaloshinsky-Moriya interaction (~ 1K) results from the tilting of the MnO_6 octahedra against each other. The crystal-field parameters D and E are found to be of comparable magnitude (~ 1K) with D ~= -E. This indicates a strong mixing of the |3z^2-r^2> and |x^2-y^2> states for the real orbital configuration.Comment: 12 pages, 6 figure

Dispersion of the dielectric function of a charge-transfer insulator

We study the problem of dielectric response in the strong coupling regime of a charge transfer insulator. The frequency and wave number dependence of the dielectric function $\epsilon ({\bf q},\omega)$ and its inverse $\epsilon ^{-1}({\bf q},\omega)$ is the main object of consideration. We show that the problem, in general, cannot be reduced to a calculation within the Hubbard model, which takes into account only a restricted number of electronic states near the Fermi energy. The contribution of the rest of the system to the longitudinal response (i.e. to $\epsilon ^{-1}({\bf q},\omega)$) is essential for the whole frequency range. With the use of the spectral representation of the two-particle Green's function we show that the problem may be divided into two parts: into the contributions of the weakly correlated and the Hubbard subsystems. For the latter we propose an approach that starts from the correlated paramagnetic ground state with strong antiferromagnetic fluctuations. We obtain a set of coupled equations of motion for the two-particle Green's function that may be solved by means of the projection technique. The solution is expressed by a two particle basis that includes the excitonic states with electron and hole separated at various distances. We apply our method to the multiband Hubbard (Emery) model that describes layered cuprates. We show that strongly dispersive branches exist in the excitonic spectrum of the 'minimal' Emery model ($1/U_d=U_p=t_{pp}=0$) and consider the dependence of the spectrum on finite oxygen hopping $t_{pp}$ and on-site repulsion $U_p$. The relationship of our calculations to electron energy loss spectroscopy is discussed.Comment: 22 pages, 5 figure

Effects of bone- and air-tissue inhomogeneities on the dose distributions of the Leksell Gamma Knife®^{\circledR} calculated with PENELOPE

Monte Carlo simulation with PENELOPE (v.~2003) is applied to calculate Leksell Gamma Knife$^{\circledR}$ dose distributions for heterogeneous phantoms. The usual spherical water phantom is modified with a spherical bone shell simulating the skull and an air-filled cube simulating the frontal or maxillary sinuses. Different simulations of the 201 source configuration of the Gamma Knife have been carried out with a simplified model of the geometry of the source channel of the Gamma Knife recently tested for both single source and multisource configurations. The dose distributions determined for heterogeneous phantoms including the bone- and/or air-tissue interfaces show non negligible differences with respect to those calculated for a homogeneous one, mainly when the Gamma Knife isocenter approaches the separation surfaces. Our findings confirm an important underdosage ($\sim$10%) nearby the air-tissue interface, in accordance with previous results obtained with PENELOPE code with a procedure different to ours. On the other hand, the presence of the spherical shell simulating the skull produces a few percent underdosage at the isocenter wherever it is situated.Comment: 13 pages, 8 figures, 2 table

Colossal magnetocapacitive effect in differently synthesized and doped CdCr2S4

In the present work, we address the question of an impurity-related origin of the colossal magnetocapacitive effect in the spinel system CdCr2S4. We demonstrate that a strong variation in the dielectric constant below the magnetic transition temperature or in external magnetic fields also arises in crystals prepared without chlorine. This excludes that an inhomogeneous distribution of chlorine impurities at the surface or in the bulk material gives rise to the unusual effects in the spinel multiferroics. In addition, we show that colossal magnetocapacitive effects can be also generated in chlorine-free ceramic samples of CdCr2S4, doped with indium.Comment: 4 pages, 3 figure