Marginal distributions in (2N)(\bf 2N)-dimensional phase space and the quantum (N+1)(\bf N+1) marginal theorem

We study the problem of constructing a probability density in 2N-dimensional phase space which reproduces a given collection of $n$ joint probability distributions as marginals. Only distributions authorized by quantum mechanics, i.e. depending on a (complete) commuting set of $N$ variables, are considered. A diagrammatic or graph theoretic formulation of the problem is developed. We then exactly determine the set of ``admissible'' data, i.e. those types of data for which the problem always admits solutions. This is done in the case where the joint distributions originate from quantum mechanics as well as in the case where this constraint is not imposed. In particular, it is shown that a necessary (but not sufficient) condition for the existence of solutions is $n\leq N+1$. When the data are admissible and the quantum constraint is not imposed, the general solution for the phase space density is determined explicitly. For admissible data of a quantum origin, the general solution is given in certain (but not all) cases. In the remaining cases, only a subset of solutions is obtained.Comment: 29 pages (Work supported by the Indo-French Centre for the Promotion of Advanced Research, Project Nb 1501-02). v2 to add a report-n

Electronic Structure and Thermoelectric Prospects of Phosphide Skutterudites

The prospects for high thermoelectric performance in phosphide skutterudites are investigated based on first principles calculations. We find that stoichiometric CoP_3 differs from the corresponding arsenide and antimonide in that it is metallic. As such the band structure must be modified if high thermopowers are to be achieved. In analogy to the antimonides it is expected that this may be done by filling with La. Calculations for LaFe_4P_12 show that a gap can in fact be opened by La filling, but that the valence band is too light to yield reasonable p-type thermopowers at appropriate carrier densities; n-type La filled material may be more favorable.Comment: 3 pages, 3 figures, 1 tabl

On long-wavelength magnetic anomalies over Indian region

A data set composed of vector magnetic measurements obtained by MAGSAT and very accurate altitude determinations made using Sun sensors and star cameras was used to obtain data for very quiet days over the Indian region at 10 S to 40 N and 60 E to 110 E in an effort to determine the validity of quantitative estimates made from aeromagnetic data obtained by removing the core field. To further account for the external effects, the ring current contributions estimated using both X and Z variations were subtracted from the observed values. Before this, the core contribution was eliminated through a spherical harmonic expansion with terms up to N=13. Analysis of the residual measurements using Fast Fourier techniques indicates that the anomalies contain substantial power for wavelengths of about 1500 kms. Because the ring current effect has a spatial structure of this dimension over India, efforts are being made to exactly eliminate these two interfering effects from the data

Impact of the various spin and orbital ordering processes on multiferroic properties of orthovanadate DyVO3

The orthovanadate DyVO3 crystal, known to exhibit multiple structural, spin and orbital ordering transitions, is presently investigated on the basis of magnetization, heat capacity, resistivity, dielectric and polarization measurements. Our main result is experimental evidence for the existence of multiferroicity below a high TC of 108 K over a wide temperature range including different spin-orbital ordered states. The onset of ferroelectricity is found to coincide with the antiferromagnetic C-type spin ordering transition taking place at 108 K, which indicates that DyVO3 belongs to type II multiferroics exhibiting a coupling between magnetism and ferroelectricity. Some anomalies detected on the temperature dependence of electric polarization are discussed with respect to the nature of the spin-orbital ordered states of the V sublattice and the degree of spin alignment in the Dy sublattice. The orthovanadates RVO3 (R = rare earth or Y) form an important new category for searching for high-TC multiferroics.Comment: 25 pages, 7 figures, 68 references, one supplementary material, Physical Review B, Published 23 July 201

Mediation of Long Range Charge Transfer by Kondo Bound States

We present a theory of non-equilibrium long range charge transfer between donor and acceptor centers in a model polymer mediated by magnetic exciton (Kondo) bound states. Our model produces electron tunneling lengths easily exceeding 10$\AA$, as observed recently in DNA and organic charge transfer systems. This long ranged tunneling is effective for weak to intermediate donor-bridge coupling, and is enhanced both by weak to intermediate strength Coulomb hole-electron attraction (through the orthogonality catastrophe) and by coupling to local vibrational modes.Comment: Revised content (broadened scope, vibrations added), submitted to Phys Rev Lett, added autho

Electronic Structure, Localization and Spin-State Transition in Cu-substituted FeSe: Fe1−x_{1-x}Cux_xSe

We report density functional studies of the Fe$_{1-x}$Cu$_x$Se alloy done using supercell and coherent potential approximation methods. Magnetic behavior was investigated using the disordered local moment approach. We find that Cu occurs in a nominal $d^{10}$ configuration and is highly disruptive to the electronic structure of the Fe sheets. This would be consistent with a metal insulator transition due to Anderson localization. We further find a strong cross over from a weak moment itinerant system to a local moment magnet at $x \approx 0.12$. We associate this with the experimentally observed jump near this concentration. Our results are consistent with the characterization of this concentration dependent jump as a transition to a spin-glass