Role of Coulomb correlation on magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7

Results of LSDA and LSDA+U calculations of the electronic structure and magnetic configurations of the 50% hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double layered LaSr2Mn2O7 are presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons has a very different influence on the (i) band formations, (ii) magnetic ground states, (iii) interlayer exchange interactions, and (iv) anisotropy of the electrical transport in these two manganites. A possible reason why the LSDA failures in predicting observed magnetic and transport properties of the double layered compound - in contrast to the doped perovskite manganite - is considered on the basis of a p-d hybridization analysis.Comment: 11 pages, 3 figure

Coulomb correlation and magnetic ordering in double-layered manganites: LaSr2_2Mn2_2O7_7

A detailed study of the electronic structure and magnetic configurations of the 50 % hole-doped double layered manganite LaSr$_2$Mn$_2$O$_7$ is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons {\it (i)} significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and {\it (ii)} promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the {\it c} axis for electrically active $e_g$ electrons. This findng is consistent with observations of anisotropic transport -- a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr$_2$Mn$_2$O$_7$ is found to be energetically more favorable with U $\geq$ 7 eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and $e_g$ state sub-band widths.Comment: 10 pages, 5 figure

Recent changes in shelf hydrography in the Siberian Arctic : potential for subsea permafrost instability

Summer hydrographic data (1920–2009) show a dramatic warming of the bottom water layer over the eastern Siberian shelf coastal zone (<10 m depth), since the mid-1980s, by 2.1°C. We attribute this warming to changes in the Arctic atmosphere. The enhanced summer cyclonicity results in warmer air temperatures and a reduction in ice extent, mainly through thermodynamic melting. This leads to a lengthening of the summer open-water season and to more solar heating of the water column. The permafrost modeling indicates, however, that a significant change in the permafrost depth lags behind the imposed changes in surface temperature, and after 25 years of summer seafloor warming (as observed from 1985 to 2009), the upper boundary of permafrost deepens only by ∼1 m. Thus, the observed increase in temperature does not lead to a destabilization of methane-bearing subsea permafrost or to an increase in methane emission. The CH4 supersaturation, recently reported from the eastern Siberian shelf, is believed to be the result of the degradation of subsea permafrost that is due to the long-lasting warming initiated by permafrost submergence about 8000 years ago rather than from those triggered by recent Arctic climate changes. A significant degradation of subsea permafrost is expected to be detectable at the beginning of the next millennium. Until that time, the simulated permafrost table shows a deepening down to ∼70 m below the seafloor that is considered to be important for the stability of the subsea permafrost and the permafrost-related gas hydrate stability zone

Coulomb Correlations and Magnetic Anisotropy in ordered L10L1_0 CoPt and FePt alloys

We present results of the magneto-crystalline anisotropy energy (MAE) calculations for chemically ordered $L1_0$ CoPt and FePt alloys taking into account the effects of strong electronic correlations and spin-orbit coupling. The local spin density + Hubbard U approximation (LSDA+U) is shown to provide a consistent picture of the magnetic ground state properties when intra-atomic Coulomb correlations are included for both 3$d$ and 5$d$ elements. Our results demonstrate significant and complex contribution of correlation effects to large MAE of these material.Comment: revised version; 4 pages, 2 figure

Crystallization of Ti33Cu67 metallic glass under high-current density electrical pulses

We have studied the phase and structure evolution of the Ti33Cu67 amorphous alloy subjected to electrical pulses of high current density. By varying the pulse parameters, different stages of crystallization could be observed in the samples. Partial polymorphic nanocrystallization resulting in the formation of 5- to 8-nm crystallites of the TiCu2 intermetallic in the residual amorphous matrix occurred when the maximum current density reached 9.7·108 A m-2 and the pulse duration was 140 μs, though the calculated temperature increase due to Joule heating was not enough to reach the crystallization temperature of the alloy. Samples subjected to higher current densities and higher values of the evolved Joule heat per unit mass fully crystallized and contained the Ti2Cu3 and TiCu3 phases. A common feature of the crystallized ribbons was their non-uniform microstructure with regions that experienced local melting and rapid solidification

Pretransitional Fluctuations in the Isotropic Phase of a Lyotropic Chromonic Liquid Crystal

We have studied isotropic-to-nematic pretransitional fluctuations in an aqueous solution of disodium cromoglycate (cromolyn) by static and dynamic light scattering. Cromolyn is a representative of lyotropic chromonic liquid crystals with building units being elongated rods formed by aggregates of disk-like molecules. By combining light-scattering and viscosity measurements we have determined the correlation length and relaxation time of the orientational order-parameter fluctuations and estimated the size of the cromolyn aggregates. The pretransitional behavior of light scattering does not completely follow the classic Landau-de Gennes model. This feature is most probably associated with the variable length of cromolyn aggregates. We have observed a dramatic increase of the shear viscosity near the transition to the nematic phase, the fact which correlates with the idea of growing supramolecular aggregates. The steep temperature dependence of the viscosity is accompanied by a practically temperature-independent translational diffusion coefficient.</p

Effect of Coulomb Correlation and Magnetic Ordering on the Electronic Structure of Two Hexagonal Phases of Ferroelectromagnetic YMnO₃

The electronic structure of YMnO3 in its high-and low-temperature hexagonal phases has been investigated within the local spin-density approximation (LSDA) and by the LSDA + U method which takes into account the local Coulomb interaction between d electrons of transition-metal ions. In contrast to the case for orthorhombic manganites, the d4-configuration degeneracy is already lifted in the high-temperature symmetric hexagonal phase, indicating that Mn3+ is not a Jahn-Teller ion; hence, we argue that the lowering of the symmetry is not connected with Jahn-Teller instability in hexagonal YMnO3. Each of these two hexagonal phases is found to be semiconducting, with a band gap of about 1.5 eV. It is shown that magnetism and correlation effects are important in band-gap formation for both crystal structures. Using the Green function method, we estimated the Neel temperature from the calculated effective exchange interaction parameters, and found it to be in good agreement with experiment

High Precision Human Skin Temperature Fluctuations Measuring Instrument

This paper describes the experimental results of testing a prototype of a high precision human skin rapid temperature fluctuations measuring instrument. Based on the author’s work, an original circuit solution on a miniature semiconductor diode sensor has been designed. The proposed circuitry provides operation in the full voltage range with automatic setting and holding the operating point, as well as the necessary slope of the conversion coefficient (up to 2300 mV/°C), which makes it possible to register fast temperature oscillations from the surface of the human body and other biological objects. Simulation results in the Microcap 12 software and laboratory tests have confirmed all declared design specifications: temperature resolution of 0.01 °C, transducer thermal time constant of 0.05 s. An original thermostat and an experimental setup for the simultaneous registration of the electrocardiogram, pulse wave signals from the Biopac polygraph MP36 and a signal of temperature oscillations from the prototype thermometer have been designed for further investigations. The preliminary test results indicates that using the designed measuring instrument gives a possibility to provide an in-depth study of the relationship between micro- and macro-blood circulations manifested in skin temperature fluctuations