Orbital correlations in the pseudo-cubic \emph{O} and rhombohedral R{R}-phases of LaMnO3_3

The local and intermediate structure of stoichiometric LaMnO$_3$ has been studied in the pseudocubic and rhombohedral phases at high temperatures (300 to 1150 K). Neutron powder diffraction data were collected and a combined Rietveld and high real space resolution atomic pair distribution function analysis carried out. The nature of the Jahn-Teller (JT) transition around 750 K is confirmed to be orbital order to disorder. In the high temperature orthorhombic ($O$) and rhombohedral ($R$) phases the MnO$_6$ octahedra are still fully distorted locally. The data suggest the presence of local orbitally ordered clusters of diameter $\sim 16$ \AA ($\sim$four MnO$_6$ octahedra) implying strong nearest neighbor JT anti-ferrodistortive coupling.Comment: 4 pages, 4 figures, submitted to Phys. Rev. Le

Palladium-Catalyzed Oxidation of β-C(sp3)-H Bonds of Primary Alkylamines through a Rare Four-Membered Palladacycle Intermediate.

Site-selective functionalizations of C-H bonds are often achieved with a directing group that leads to five- or six-membered metallacyclic intermediates. Analogous reactions that occur through four-membered metallacycles are rare. We report a challenging palladium-catalyzed oxidation of primary C-H bonds β to nitrogen in an imine of an aliphatic amine, a process that occurs through a four-membered palladacyclc intermediate. The success of the reaction relies on the identification, by H/D exchange, of a simple directing group (salicylaldehyde) capable of inducing the formation of this small ring. To gain insight into the steps of the catalytic cycle of this unusual oxidation reaction, a series of mechanistic experiments and density functional theory (DFT) calculations were conducted. The experimental studies showed that cleavage of the C-H bond is rate-limiting and formation of the strained four-membered palladacycle is thermodynamically uphill. DFT calculations corroborated these conclusions and suggested that the presence of an intramolecular hydrogen bond between the oxygen of the directing group and hydroxyl group of the ligating acetic acid is crucial for stabilization of the palladacyclic intermediate

Magnetic Interaction in the Geometrically Frustrated Triangular Lattice Antiferromagnet CuFeO2\rm CuFeO_2

The spin wave excitations of the geometrically frustrated triangular lattice antiferromagnet (TLA) $\rm CuFeO_2$ have been measured using high resolution inelastic neutron scattering. Antiferromagnetic interactions up to third nearest neighbors in the ab plane (J_1, J_2, J_3, with $J_2/J_1 \approx 0.44$ and $J_3/J_1 \approx 0.57$), as well as out-of-plane coupling (J_z, with $J_z/J_1 \approx 0.29$) are required to describe the spin wave dispersion relations, indicating a three dimensional character of the magnetic interactions. Two energy dips in the spin wave dispersion occur at the incommensurate wavevectors associated with multiferroic phase, and can be interpreted as dynamic precursors to the magnetoelectric behavior in this system.Comment: 4 pages, 4 figures, published in Phys. Rev. Let

Modular Equations and Distortion Functions

Modular equations occur in number theory, but it is less known that such equations also occur in the study of deformation properties of quasiconformal mappings. The authors study two important plane quasiconformal distortion functions, obtaining monotonicity and convexity properties, and finding sharp bounds for them. Applications are provided that relate to the quasiconformal Schwarz Lemma and to Schottky's Theorem. These results also yield new bounds for singular values of complete elliptic integrals.Comment: 23 page

On the AKSZ formulation of the Rozansky-Witten theory and beyond

Using the AKSZ formalism, we construct the Batalin-Vilkovisky master action for the Rozansky-Witten model, which can be defined for any complex manifold with a closed (2,0)-form. We also construct the holomorphic version of Rozansky-Witten theory defined over Calabi-Yau 3-fold.Comment: 12 page

Resummation of nuclear enhanced higher twist in the Drell Yan process

We investigate higher twist contributions to the transverse momentum broadening of Drell Yan pairs in proton nucleus collisions. We revisit the contribution of matrix elements of twist-4 and generalize this to matrix elements of arbitrary twist. An estimate of the maximal nuclear broadening effect is derived. A model for nuclear enhanced matrix elements of arbitrary twist allows us to give the result of a resummation of all twists in closed form. Subleading corrections to the maximal broadening are discussed qualitatively.Comment: 10 pages, 5 figures; v2: minor changes in text, acknowledgement added; v3: mistake in fig. 1 correcte

Polymeric forms of carbon in dense lithium carbide

The immense interest in carbon nanomaterials continues to stimulate intense research activities aimed to realize carbon nanowires, since linear chains of carbon atoms are expected to display novel and technologically relevant optical, electrical and mechanical properties. Although various allotropes of carbon (e.g., diamond, nanotubes, graphene, etc.) are among the best known materials, it remains challenging to stabilize carbon in the one-dimensional form because of the difficulty to suitably saturate the dangling bonds of carbon. Here, we show through first-principles calculations that ordered polymeric carbon chains can be stabilized in solid Li$_2$C$_2$ under moderate pressure. This pressure-induced phase (above 5 GPa) consists of parallel arrays of twofold zigzag carbon chains embedded in lithium cages, which display a metallic character due to the formation of partially occupied carbon lone-pair states in \emph{sp}$^2$-like hybrids. It is found that this phase remains the most favorable one in a wide range of pressure. At extreme pressure (larger the 215 GPa) a structural and electronic phase transition towards an insulating single-bonded threefold-coordinated carbon network is predicted.Comment: 10 pages, 6 figure

Effects of a finite size reflecting disk in sound power measurements

© 2018 Elsevier Ltd In practical sound power measurements in an anechoic room, a baffle sometimes has to be used to support the sound source under test so that the anechoic room can be used as a hemi-anechoic room by laying a reflecting plane. To understand the effects of a finite size reflecting plane on measurements quantitatively, this paper investigates the effects of a disk on sound power measurements by formulating an exact solution to the problem based on the spheroidal wave functions. Three practical measurement cases are considered and the correction terms for the cases are presented based on numerical simulations. Experiments are conducted to validate the analytical solutions and numerical results