Atom diffraction reveals the impact of atomic core electrons on atom-surface potentials

We measured ratios of van der Waals potential coefficients (C3) for different atoms (Li, Na, K, and Rb) interacting with the same surface by studying atom diffraction from a nanograting. These measurements are a sensitive test of atomic structure calculations because C3 ratios are strongly influenced by core electrons and only weakly influenced by the permittivity and geometry of the surface. Our measurement uncertainty of 2% in the ratio C(3)(K)/C(3)(Na) is close to the uncertainty of the best theoretical predictions, and some of these predictions are inconsistent with our measurement.     

A Novel Method for the Demetalation of Tricarbonyliron–Diene Complexes by a Photolytically Induced Ligand Exchange Reaction with Acetonitrile

The photochemical exchange of all three carbonyl ligands with acetonitrile converts tricarbonyliron–diene complexes into the very labile triacetonitrile-iron–diene complexes. These easily demetalate in high yields to the corresponding free ligands on injection of air at −30°C [Eq. (1)]. The novel demetalation procedure is applied to the tricarbonyliron complexes of cyclopentadienones, cyclohexa-1,3-dienes, and buta-1,3-dienes.     

Dirichlet forms for singular one-dimensional operators and on graphs

We treat the time evolution of states on a finite directed graph, with singular diffusion on the edges of the graph and glueing conditions at the vertices. The operator driving the evolution is obtained by the method of quadratic forms on a suitable Hilbert space. Using the Beurling–Deny criteria we describe glueing conditions leading to positive and to submarkovian semigroups, respectively.     

Stripe Order and Spin Dynamics in Nickelates

We report zero field μSR experiments on the lanthanum nickelate La_2−x Sr _x NiO_4+δ system with strontium doping level x between 0 and 0.6. In a single crystal with x=0.33 the internal field distribution shows two separated signals reflecting the antiferromagnetic domains and the non magnetic antiphase domain walls in the spin and charge ordered state below 190 K. Below 70 K a broadening of the low field line is observed. A similar behavior is observed in polycrystalline samples with 0.2≤x≤0.5. This revised version was published online in September 2006 with corrections to the Cover Date.     

Structural variety and magnetic properties of tetranuclear nickel(II) complexes with a central mu4-azide

Using a set of pyrazolate-based dinucleating ligands with thioether sidearms and a set of different carboxylates, seven tetranuclear nickel(II) complexes of types [L2Ni4(N3)3(O2CR)2](ClO4) (1) and [L2Ni4(N3)(O2CR)4](ClO4) (2) featuring an unprecedented central mu4-1,1,3,3-azide could be isolated and fully characterized. X-ray crystal structures are discussed for 1a,b,e and 2b. The mu4-1,1,3,3-azide is symmetric in all cases except 1a but exhibits distinct binding modes with significantly different Ni-N(azide)-Ni angles and Ni-NNN-Ni torsions in type 1 and 2 complexes, which indicates high structural flexibility of this novel bridging unit. Also, IR-spectroscopic signatures and magnetic properties are distinct for type 1 and 2 complexes. Magnetic data for 1a,b,d,e and 2a,b were investigated and analyzed in a three-J approach. The only model that gave a satisfactory fit for all type 1 complexes includes one dominant antiferromagnetic coupling and two ferromagnetic interactions (one large and one smaller), indicating some degree of frustration. On the basis of magneto-structural correlations for end-on and end-to-end azide linkages, it is reasonable to assign the antiferromagnetic interaction to the intradimer exchange along the pyrazolate and the end-to-end linkage of the mu4-azide. Overall, the magnitude of the coupling constants differs significantly for the two distinct types of compounds, 1 or 2, and depends on the individual geometric details of the Ni4 array and the mu4-1,1,3,3-azide.     

Giant spin canting in the S=1/2 antiferromagnetic chain [CuPM(NO3)2(H2O)2]n observed by 13C-NMR

We present a combined experimental and theoretical study on copper pyrimidine dinitrate [CuPM(NO3)2(H2O)2]n, a one-dimensional S=1/2 antiferromagnet with alternating local symmetry. From the local susceptibility measured by NMR at the three inequivalent carbon sites in the pyrimidine molecule we deduce a giant spin canting, i.e., an additional staggered magnetization perpendicular to the applied external field at low temperatures. The magnitude of the transverse magnetization, the spin canting of (52+/-4) degrees at 10 K and 9.3 T, and its temperature dependence are in excellent agreement with exact diagonalization calculations.     

Microscopic coexistence of superconductivity and magnetism in Ba(1-x)K(x)Fe2As2

It is widely believed that, in contrast to its electron-doped counterparts, the hole-doped compound Ba(1-x)K(x)Fe(2)As(2) exhibits a mesoscopic phase separation of magnetism and superconductivity in the underdoped region of the phase diagram. Here, we report a combined high-resolution x-ray powder diffraction and volume-sensitive muon spin rotation study of Ba(1-x)K(x)Fe(2)As(2) showing that this paradigm does not hold true in the underdoped region of the phase diagram (0≤x≤0.25). Instead we find a microscopic coexistence of the two forms of order. A competition of magnetism and superconductivity is evident from a significant reduction of the magnetic moment and a concomitant decrease of the magnetoelastically coupled orthorhombic lattice distortion below the superconducting phase transition.