Heisenberg exchange in magnetic monoxides

The superexchange intertacion in transition-metal oxides, proposed initially by Anderson in 1950, is treated using contemporary tight-binding theory and existing parameters. We find also a direct exchange for nearest-neighbor metal ions, larger by a factor of order five than the superexchange. This direct exchange arises from Vddm coupling, rather than overlap of atomic charge densities, a small overlap exchange contribution which we also estimate. For FeO and CoO there is also an important negative contribution, related to Stoner ferromagnetism, from the partially filled minority-spin band which broadens when ionic spins are aligned. The corresponding J1 and J2 parameters are calculated for MnO, FeO, CoO, and NiO. They give good accounts of the Neel and the Curie-Weiss temperatures, show appropriate trends, and give a reasonable account of their volume dependences. For MnO the predicted value for the magnetic susceptibility at the Neel temperature and the crystal distortion arising from the antiferromagnetic transition were reasonably well given. Application to CuO2 planes in the cuprates gives J=1220oK, compared to an experimental 1500oK, and for LiCrO2 gives J1=4 50oK compared to an experimental 230oK.Comment: 21 pages, 1 figure, submitted to Phys. Rev. B 1/19/07. Realized J=4V^2/U applies generally, as opposed to J=2V^2/U from one-electron theory (1/28 revision

Local Structure and It's Effect on The Ferromagnetic Properties of La0.5_{0.5}Sr0.5_{0.5}CoO3_3 thin films}

We have used high-resolution Extended X-ray Absorption Fine-Structure and diffraction techniques to measure the local structure of strained La$_{0.5}$Sr$_{0.5}$CoO$_3$ films under compression and tension. The lattice mismatch strain in these compounds affects both the bond lengths and the bond angles, though the larger effect on the bandwidth is due to the bond length changes. The popular double exchange model for ferromagnetism in these compounds provides a correct qualitative description of the changes in Curie temperature $T_C$, but quantitatively underestimates the changes. A microscopic model for ferromagnetism that provides a much stronger dependence on the structural distortions is needed.Comment: 4 pages, 4 figure

Tight-Binding Theory of Manganese and Iron Oxides

The electronic structure is found to be understandable in terms of free-atom term values and universal interorbital coupling parameters, since self-consistent tight-binding calculations indicate that Coulomb shifts of the d-state energies are small. Special-point averages over the bands are seen to be equivalent to treatment of local octahedral clusters. The cohesive energy per manganese for MnO, Mn2O3, and MnO2, in which manganese exists in valence states Mn2+, Mn3+, and Mn4+, is very nearly the same and dominated by the transfer of manganese s electrons to oxygen p states. There are small corrections, one eV per Mn in all cases, from couplings of minority-spin states. Transferring one majority-spin electron from an upper cluster state to a nonbonding oxygen state adds 1.67 eV to the cohesion for Mn2O3, and two transfers adds twice that for MnO2 . The electronic and magnetic properties are consistent with this description and appear to be understandable in terms of the same parameters.Comment: Submitting to Phys. Rev.

Energy dependence on fractional charge for strongly interacting subsystems

The energies of a pair of strongly-interacting subsystems with arbitrary noninteger charges are examined from closed and open system perspectives. An ensemble representation of the charge dependence is derived, valid at all interaction strengths. Transforming from resonance-state ionicity to ensemble charge dependence imposes physical constraints on the occupation numbers in the strong-interaction limit. For open systems, the chemical potential is evaluated using microscopic and thermodynamic models, leading to a novel correlation between ground-state charge and an electronic temperature.Comment: 4 pages, 3 figs.; as accepted (Phys. Rev. Lett.

Reduction of computer usage costs in predicting unsteady aerodynamic loadings caused by control surface motions: Computer program description

A digital computer program was developed to calculate unsteady loadings caused by motions of lifting surfaces with leading edge and trailing edge controls based on the subsonic kernel function approach. The pressure singularities at hinge line and side edges were extracted analytically as a preliminary step to solving the integral equation of collocation. The program calculates generalized aerodynamic forces for user supplied deflection modes. Optional intermediate output includes pressure at an array of points, and sectional generalized forces. From one to six controls on the half span can be accomodated

Non-linear effect of uniaxial pressure on superconductivity in CeCoIn5

We study single-crystal CeCoIn5 with uniaxial pressure up to 3.97 kbar applied along the c-axis. We find a non-linear dependence of the superconducting transition temperature Tc on pressure, with a maximum close to 2 kbar. The transition also broadens significantly as pressure increases. We discuss the temperature dependence in terms of the general trend that Tc decreases in anisotropic heavy-fermion compounds as they move towards three-dimensional behavior.Comment: 6 pages, 4 figure

Disordered Carbon nanotube alloys in the Effect Medium Super Cell Approximation

We investigate a disordered single-walled carbon nanotube (SWCNT) in an effective medium super cell approximation (EMSCA). First type of disorder that we consider is the presence of vacancies. Our results show that the vacancies induce some bound states on their neighbor host sites, leading to the creation of a band around the Fermi energy in the SWCNT average density of states.Second type of disorder considered is a substitutional $B_{cb}N_{cn}C_{1-cb-cn}$ alloy due to it's applications in hetrojunctions. We found that for a fixed boron (nitrogen) concentration, by increasing the nitrogen (boron) concentration the averaged semiconducting gap, $E_{g}$, decreases and at a critical concentration it disappears. A consequence of our results for nano electronic devices is that by changing the boron(nitrogen) concentration, one can make a semiconductor SWCNT with a pre-determined energy gap.Comment: 4 page

Exciton condensation driving the periodic lattice distortion of 1T-TiSe2

We address the lattice instability of 1T-TiSe2 in the framework of the exciton condensate phase. We show that, at low temperature, condensed excitons influence the lattice through electron-phonon interaction. It is found that at zero temperature, in the exciton condensate phase of 1T-TiSe2, this exciton condensate exerts a force on the lattice generating ionic displacements comparable in amplitude to what is measured in experiment. This is thus the first quantitative estimation of the amplitude of the periodic lattice distortion observed in 1T-TiSe2 as a consequence of the exciton condensate phase.Comment: 5 pages, 3 figures and 1 tabl

Magneto-elastic effects and magnetization plateaus in two dimensional systems

We show the importance of both strong frustration and spin-lattice coupling for the stabilization of magnetization plateaus in translationally invariant two-dimensional systems. We consider a frustrated spin-1/2 Heisenberg model coupled to adiabatic phonons under an external magnetic field. At zero magnetization, simple structures with two or at most four spins per unit cell are stabilized, forming dimers or $2 \times 2$ plaquettes, respectively. A much richer scenario is found in the case of magnetization $m=1/2$, where larger unit cells are formed with non-trivial spin textures and an analogy with the corresponding classical Ising model is detectable. Specific predictions on lattice distortions and local spin values can be directly measured by X-rays and Nuclear Magnetic Resonance experiments.Comment: 4 pages and 4 figure

Observations of MCG-5-23-16 with Suzaku, XMM-Newton and NuSTAR: Disk tomography and Compton hump reverberation

MCG-5-23-16 is one of the first AGN where relativistic reverberation in the iron K line originating in the vicinity of the supermassive black hole was found, based on a short XMM-Newton observation. In this work, we present the results from long X-ray observations using Suzaku, XMM-Newton and NuSTAR designed to map the emission region using X-ray reverberation. A relativistic iron line is detected in the lag spectra on three different time-scales, allowing the emission from different regions around the black hole to be separated. Using NuSTAR coverage of energies above 10 keV reveals a lag between these energies and the primary continuum, which is detected for the first time in an AGN. This lag is a result of the Compton reflection hump responding to changes in the primary source in a manner similar to the response of the relativistic iron K line.Comment: Accepted for Publication in Ap