The spin-temperature theory of dynamic nuclear polarization and nuclear spin-lattice relaxation

A detailed derivation of the equations governing dynamic nuclear polarization (DNP) and nuclear spin lattice relaxation by use of the spin temperature theory has been carried to second order in a perturbation expansion of the density matrix. Nuclear spin diffusion in the rapid diffusion limit and the effects of the coupling of the electron dipole-dipole reservoir (EDDR) with the nuclear spins are incorporated. The complete expression for the dynamic nuclear polarization has been derived and then examined in detail for the limit of well resolved solid effect transitions. Exactly at the solid effect transition peaks, the conventional solid-effect DNP results are obtained, but with EDDR effects on the nuclear relaxation and DNP leakage factor included. Explicit EDDR contributions to DNP are discussed, and a new DNP effect is predicted

Voting in Agreeable Societies

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Strain control of superlattice implies weak charge-lattice coupling in La0.5_{0.5}Ca0.5_{0.5}MnO3_3

We have recently argued that manganites do not possess stripes of charge order, implying that the electron-lattice coupling is weak [Phys Rev Lett \textbf{94} (2005) 097202]. Here we independently argue the same conclusion based on transmission electron microscopy measurements of a nanopatterned epitaxial film of La$_{0.5}$Ca$_{0.5}$MnO$_3$. In strain relaxed regions, the superlattice period is modified by 2-3% with respect to the parent lattice, suggesting that the two are not strongly tied.Comment: 4 pages, 4 figures It is now explained why the work provides evidence to support weak-coupling, and rule out charge orde

Volume contraction at the Jahn-Teller transition of LaMnO3_3

We have studied the volume collapse of LaMnO$_3$ at the Jahn- Teller (JT) transition temperature T$_{JT}$=750 K which has recently been found in high temperature powder x- ray and neutron diffraction experiments. We construct a model Hamiltonian involving the pseudospin of Mn$^{3+}$ e$_g$ states, the staggered JT distortion and the volume strain coordinate. We show that the anharmonic coupling between these primary and secondary order parameters leads to the first order JT phase transition associated with a comparatively large reduction of the unit cell volume of $\Delta$V/V$\simeq$ 10$^{-2}$. We explain the temperature dependence of JT distortions and volume strain and discuss the volume change as function of the anharmonic coupling constant. A continuous change to a second order transition as function of model parameters is obtained. This behaviour is also observed under Ba doping.Comment: 5 pages, 4 figure

Cooperative Jahn-Teller Effect and Electron-Phonon Coupling in La1−xAxMnO3La_{1-x}A_xMnO_3

A classical model for the lattice distortions of \lax is derived and, in a mean field approximation, solved. The model is based on previous work by Kanamori and involves localized Mn d-electrons (which induce tetragonal distortions of the oxygen octahedra surrounding the Mn) and localized holes (which induce breathing distortions). Parameters are determined by fitting to the room temperature structure of $LaMnO_3$. The energy gained by formation of a local lattice distortion is found to be large, most likely $\approx 0.6$ eV per site, implying a strong electorn-phonon coupling and supporting polaronic models of transport in the doped materials. The structural transition is shown to be of the order-disorder type; the rapid x-dependence of the transition temperature is argued to occur because added holes produce a "random" field which misaligns the nearby sites.Comment: 24 pages. No figures. One Table. Late

Parameterized complexity of the MINCCA problem on graphs of bounded decomposability

In an edge-colored graph, the cost incurred at a vertex on a path when two incident edges with different colors are traversed is called reload or changeover cost. The "Minimum Changeover Cost Arborescence" (MINCCA) problem consists in finding an arborescence with a given root vertex such that the total changeover cost of the internal vertices is minimized. It has been recently proved by G\"oz\"upek et al. [TCS 2016] that the problem is FPT when parameterized by the treewidth and the maximum degree of the input graph. In this article we present the following results for the MINCCA problem: - the problem is W[1]-hard parameterized by the treedepth of the input graph, even on graphs of average degree at most 8. In particular, it is W[1]-hard parameterized by the treewidth of the input graph, which answers the main open problem of G\"oz\"upek et al. [TCS 2016]; - it is W[1]-hard on multigraphs parameterized by the tree-cutwidth of the input multigraph; - it is FPT parameterized by the star tree-cutwidth of the input graph, which is a slightly restricted version of tree-cutwidth. This result strictly generalizes the FPT result given in G\"oz\"upek et al. [TCS 2016]; - it remains NP-hard on planar graphs even when restricted to instances with at most 6 colors and 0/1 symmetric costs, or when restricted to instances with at most 8 colors, maximum degree bounded by 4, and 0/1 symmetric costs.Comment: 25 pages, 11 figure

The charge ordered state in half-doped Bi-based manganites studied by 17^{17}O and 209^{209}Bi NMR

We present a $^{209}$Bi and $^{17}$O NMR study of the Mn electron spin correlations developed in the charge ordered state of Bi$_{0.5}$Sr$_{0.5}$MnO$_{3}$ and Bi$_{0.5}$Ca$_{0.5}$MnO$_{3}$. The unusually large local magnetic field $^{209}H_{loc}$ indicates the dominant $6s^{2}$ character of the lone electron pair of Bi$^{3+}$-ions in both compounds. The mechanism connecting the $s$ character of the lone pairs to the high temperature of charge ordering $T_{CO}$ is still not clarified. The observed difference in $^{209}H_{loc}$ for Bi$_{0.5}$Sr$_{0.5}$MnO$_{3}$ to Bi$_{0.5}$Ca$_{0.5}$MnO$_{3}$ is probably due to a decrease in the canting of the staggered magnetic moments of Mn$^{3+}$-ions from. The modification of the $^{17}$O spectra below $T_{CO}$ demonstrates that the line due to the apical oxygens is a unique local tool to study the development of the Mn spin correlations. In the AF state the analysis of the $^{17}$O spectrum of Pr$_{0.5}$Ca$_{0.5}$MnO$_{3}$ and Bi$_{0.5}$Sr$_{0.5}$MnO$_{3}$ prompts us to try two different theoretical descriptions of the charge-ordered state, a site-centered model for the first manganite and a bond-centered model for the second one.Comment: 10 pages, 7 figure

Structural and magnetic properties of Mn3-xCdxTeO6 (x = 0, 1, 1.5 and 2)

Mn3TeO6 exhibits a corundum-related A3TeO6 structure and a complex magnetic structure involving two magnetic orbits for the Mn atoms [*]. Mn3-xCdxTeO6 (x=0, 1, 1.5 and 2) ceramics were synthesized by solid state reaction and investigated using X-ray powder diffraction, electron microscopy, calorimetric and magnetic measurements. Cd2+ replaces Mn2+ cations without greatly affecting the structure of the compound. The Mn and Cd cations were found to be randomly distributed over the A-site. Magnetization measurements indicated that the samples order antiferromagnetically at low temperature with a transition temperature that decreases with increasing Cd doping. The nuclear and magnetic structure of one specially prepared 114Cd containing sample: Mn1.5(114Cd)1.5TeO6, was studied using neutron powder diffraction over the temperature range 2 to 295 K. Mn1.5(114Cd)1.5TeO6 was found to order in an incommensurate helical magnetic structure, very similar to that of Mn3TeO6 [*]. However, with a lower transition temperature and the extension of the ordered structure confined to order 240(10) {\AA}. [*] S. A. Ivanov et al. Mater. Res. Bull. 46 (2011) 1870.Comment: 20 pages, 8 figure

Interplay of the CE-type charge ordering and the A-type spin ordering in a half-doped bilayer manganite La{1}Sr{2}Mn{2}O{7}

We demonstrate that the half-doped bilayer manganite La_{1}Sr_{2}Mn_{2}O_{7} exhibits CE-type charge-ordered and spin-ordered states below $T_{N, CO}^A = 210$ K and below $T_{N}^{CE} \sim 145$ K, respectively. However, the volume fraction of the CE-type ordering is relatively small, and the system is dominated by the A-type spin ordering. The coexistence of the two types of ordering is essential to understand its transport properties, and we argue that it can be viewed as an effective phase separation between the metallic $d(x^{2}-y^{2})$ orbital ordering and the charge-localized $d(3x^{2}-r^{2})/d(3y^{2}-r^{2})$ orbital ordering.Comment: 5 pages, 4 figures, submitted to Phys. Rev.