Structure prediction based on ab initio simulated annealing for boron nitride (2008)
Doll, K., Schoen, J. C., Jansen, M.
Possible crystalline modifications of chemical compounds at low temperatures correspond to local minima of the energy landscape. Determining these minima via simulated annealing is one method for the...
Phase transition of the nucleon-antinucleon plasma at different ratios (2008)
Delfino, A., Jansen, M., Timóteo, V. S.
We investigate phase transitions for the Walecka model at very high temperatures. As is well known, depending on the parametrization of this model and for the particular case of a zero chemical...
Raichle, M., Reehuis, M., André, G., Capogna, L., Sofin, M., Jansen, M., ...
Neutron diffraction has been used to determine the magnetic structure of Na$_8$Cu$_5$O$_{10}$, a stoichiometric compound containing chains based on edge-sharing CuO$_4$ plaquettes. The chains are...
Organic n-channel transistors based on core-cyanated perylene carboxylic diimide derivates (2008)
Weitz, R. T., Armsharov, K., Zschieschang, U., Barrena Villas, E., Goswami, D. K., Burghard, M., ...
A new family of binary layered compounds of platinum with alkali metals (A = K, Rb, Cs) (2006)
By reacting platinum with alkali metals (A = K, Rb, Cs) a new family of binary alkali metal platinides has been synthesized and characterized by chemical analysis, X-ray powder diffraction, thermal...
CMPZ – an algorithm for the efficient comparison of periodic structures (2006)
Hundt, R., Schön, J. C., Jansen, M.
The systematic comparison of the atomic structure of solid compounds has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of...
Synthesis, crystal structure and magnetic properties of β-Na3FeO3 (2006)
beta-Na3FeO3 was prepared via the azide/nitrate route. Stoichiometric mixtures of the precursors (Fe2O3, NaN3 and NaNO3) were heated in a special regime up to 450 degrees C and annealed at this...
Spin-1/2 triangular lattice with orbital degeneracy in a metallic oxide Ag2NiO2 (2006)
Yoshida, H., Muraoka, Y., Sörgel, T., Jansen, M., Hiroi, Z.
A metallic and magnetic transition metal oxide Ag2NiO2 is studied by means of resistivity, magnetic susceptibility, specific heat, and x-ray diffraction. The crystal structure is characterized by an...
Synthesis and crystal structure analysis of KAg11(VO4)4 (2006)
New potassium silver vanadate KAg11(VO4)(4) was obtained by reacting the stoichiometric mixture of Ag2O and V2O5 at elevated oxygen pressure, adding a small portion of aqueous KOH. The synthesis was...
Trisodium dihydroxotetraoxoosmate(VII), Na3[OsO4(OH)2] (2006)
Mogare, K. M., Klein, W., Jansen, M.
Na-3[OsO4(OH)(2)] contains osmium(VII) coordinated octahedrally by four oxide and two hydroxide groups. The OsO4(OH)(2) octahedra form zigzag chains parallel to [010], linked by hydrogen bridges. Two...
Karpov, A., Konuma, M., Jansen, M.
ESCA-measurements on barium platinides provide the first spectroscopic evidence for negative oxidation states of platinum and are in excellent agreement with theoretical predictions based on...
Synthesis, crystal structure determination, and physical properties of Ag5IO6 (2006)
The silver iodate(VII), Ag5IO6, was obtained by reacting a stoichiometric mixture of Ag2O and KIO3, at elevated oxygen pressure, adding a small portion of distilled water. The synthesis was done at...
Ab initio computation of low-temperature phase diagrams exhibiting miscibility gaps (2006)
Schön, J. C., Pentin, I. V., Jansen, M.
A new methodology for the computation of the low-temperature part of phase diagrams without recourse to any experimental information is presented. A central element is a procedure for deciding...
Magnetic excitations and phonons in the spin-chain compound NaCu2O2 (2006)
Choi, K. Y., Gnezdilov, V. P., Lemmens, P., Capogna, L., Johnson, M. R., Sofin, M., ...
We report an inelastic light scattering study of single-crystalline NaCu2O2, a spin-chain compound known to exhibit a phase with helical magnetic order at low temperatures. Phonon excitations were...
New alkali metal thallideoxides, A(10)Tl(6)O(2) (A = K, Rb), crystallize in a unique structure consisting of hypoelectronic [Tl-6](6-) clusters in the shape of compressed octahedra, together with...
Preparation of the SrFe12O19-based magnetic composites via boron oxide glass devitrification (2006)
Zaitsev, D. D., Kushnir, S. E., Kazin, P. E., Tretyakov, Y. D., Jansen, M.
Magnetic composites were obtained in the system SrO-Fe2O3-B2O3 by oxide glass heat treatment at 600-950 degrees C. Samples of the composites were investigated using XRD analysis. magnetic...
Hildebrandt, L., Dinnebier, R., Jansen, M.
The crystal structures of three polymorphic phases of rubidium trifluoromethyl sulfonate (RbSO3CF3, rubidium 'triflate') were solved from X-ray powder diffraction data. At room temperature, rubidium...
K3Na(RuO4)2 and Rb3Na(RuO4)2, two new ruthenates with glaserite structure (2006)
Mogare, K. M., Klein, W., Peters, E. M., Jansen, M.
K3Na(RuO4)(2) and Rb3Na(RuO4)(2) were prepared by solid state reactions of RuO2, Na2O2, and RbO2 or KO2, respectively, at 873 K under oxygen pressure. K3Na(RuO4)(2) performs a structural transition...
Comparsion of the electron density distributions in Zn and Mg (2006)
Schlenz, H., Kirfel, A., Jansen, M., Nuss, J., Wedig, U., Lin, C. T., ...
Ordered inclusion of endohedral fullerenes N@C60 and P@C60 in a crystalline matrix (2006)
Naydenov, B., Spudat, C., Harneit, W., Süss, H.I., Hulliger, J., Nuss, J., ...
Charge Ordering in Ag2BiO3 (2006)
Oberndorfer, C. P. M., Dinnebier, R. E., Ibberson, R. M., Jansen, M.
MIRO: Microwave Instrument for Rosetta Orbiter (2006)
Gulkis, S., Frerking, M., Crovisier, J., Beaudin, G., Hartogh, P., Encrenaz, P., ...
Gravchikova, E. A., Zaitsev, D. D., Kazin, P. E., Popov, M. V., Tretyakov, Y. D., Jansen, M.
Glass of nominal composition Sr0.6La0.4Fe11.6Co0.4O19 + 12SrB(2)O(4) was prepared by rapidly quenching an oxide melt and was then heat-treated at temperatures from 550 to 900 degrees C to give...
Geometric variations and electron localizations in intermetallics: PbFCl type compounds (2006)
Nuss, J., Wedig, U., Jansen, M.
The structural relations of the intermetallic compounds Cu2Sb, Mn2Sb, Fe2As, Mn2As, Cr2As, Sc2Sb as well as of YTiSi and ZrSiS, all adopting the PbFCl structure, are discussed. In the course of these...
Diethyl ether-trichloroborane, (C2H5)2O-BCl3 (2006)
Weinmann, M., Nuss, J. R., Jansen, M.
The title compound, C4H10BCl3O, is the first crystallographically characterized example of a trihaloborane complex with an ether as electron-pair donor. The B atom is coordinated tetrahedrally,...
Synthesis of fullerene-like Cs2O nanoparticles by concentrated sunlight (2006)
Albu-Yaron, A., Arad, T., Levy, M., Popovitz-Biro, R., Tenne, R., Gordon, J. M., ...
Application of a solar-driven synthesis approach for the production of fullerene-like Cs2O nanoparticles is presented (see figure). The synthesis is performed directly in evacuated quartz ampoules...
Stability of alkali-metal oxides as a function of pressure: Theoretical calculations (2006)
Čančarević, Ž., Schön, J. C., Jansen, M.
We investigate the regions of thermodynamic stability of possible modifications of the alkali oxides M2O as a function of pressure and type of alkali metal (M=Li,Na,K,Rb,Cs). The results are in good...
The novel ionic ozonide {[N(C4H9)(4)](O-3)}(4)-4.75NH(3) was synthesized by ion-exchange reaction in liquid ammonia. The crystal structure was determined by single crystal diffraction at 100 K...
A new borazine-type single source precursor for Si/B/N/C ceramics (2006)
The new borazine derivative [ B{CH(CH3)(SiCl3)} NH](3) (TSEB) was prepared by reacting Cl3Si - CH(CH3) - BCl2 (TSDE) with hexamethyldisilazane (hmds) at ambient conditions. TSEB was characterized by...
Neutron diffraction study of the magnetic structure of Na2RuO4 (2006)
Mogare, K. M., Sheptyakov, D. V., Bircher, R., Gudel, H. U., Jansen, M.
Nuclear and magnetic structures of sodium ruthenate (VI) have been studied by neutron powder diffraction in the temperature range 1.5-200 K. Na2RuO4 crystallizes in the monoclinic structure, with...
Alkali metal carbonates at high pressure (2006)
Čančarević, Ž., Schön, J. C., Jansen, M.
The possible existence of crystalline alkali metal carbonates as high-pressure modifications in the system M2CO3, where M = Li, Na, K, Rb, and Cs are investigated. The results agree well with the...
Synthesis and crystal structure determination of Cs([18]crown-6)Au·8NH3 (2006)
Cs([18]crown-6)Au center dot 8NH(3) was synthesized from CsAu and [18]crown-6 in liquid ammonia. The extremely air- and temperature-sensitive colorless, block-shaped crystals were analyzed by single...
Syntheses and structures of BaPrxBi1-xO3 perovskites (2006)
Poltavets, V., Kazin, P., Jansen, M.
The perovskite-type BaPr0.75Bi0.25O2.69 and BaPrxBi1-xO3 (x = 0.025, 0.10, 0.25, 0.33, 0.5, 0.67, 0.75) solid solutions containing mixed valent praseodymium and bismuth ions have been synthesized via...
Crystal structure of bis(pentamethylcyclopentadienyl)difluorotitanium(IV), Ti[C5(CH3)5]2F2 (2006)
C20H30F2Ti, monoclinic, P12(1)/c1 (no. 14), a = 15.881(2) angstrom, b = 15.119(1) angstrom, c = 16.068(2) angstrom, beta = 109.575(3)degrees, V = 3635.1 angstrom(3), Z = 8, R-gt(F) = 0.054,...
HRTEM and SAED investigations of CuxMTe2 (M = V, Nb, Ta) (2006)
Sörgel, T., Kienle, L., Jansen, M.
The copper intercalation compounds Cu0.87VTe2, CuNbTe2 and Cu0.89TaTe2 which were synthesised from the binary tellurides via topotactic low temperature intercalation reactions, were investigated by...
Ag2Te2O7, a novel silver tellurate of weberite structure type (2006)
Klein, W., Curda, J., Peters, E. M., Jansen, M.
Ag2Te2O7 has been synthesized by solid state reaction of Ag2O and TeO2 under elevated oxygen pressure. The compound is diamagnetic and insulating, and decomposes at 560 degrees C in an Ar atmosphere...
Orosel, D., Dinnebier, R., Jansen, M.
We report on the first synthesis of a potassium orthoselenate(VI), K-6(SeO4)(SeO5), and the structure determination from synchrotron powder diffraction data. The title compound crystallizes in the...
Synthesis of magnetic glass-ceramics in the system SrO-Fe2O3-Al2O3-B2O3 (2006)
Zaitsev, D. D., Kazin, P. E., Trusov, L. A., Vishnyakov, D. A., Tretyakov, Y. D., Jansen, M.
Dalm, M.C.F., Jansen, M, Keijzer, T.M.P., Oudshoorn, A., Tramper, J., ...
Perfusion systems have the possibility to be operated continuously for several months. It is important that the performance of the cell retention device does not limit the operation time of a...
Scheer, M., Vogel, U., Becker, U., Balazs, G., Scheer, P., Hönle, W., ...
Zr, Hf, Mo and W-containing oxide phases as pinning additives in Bi-2212 superconductor (2005)
Makarova, M. V., Kazin, P. E., Tretyakov, Y. D., Jansen, M., Reissner, M., Steiner, W.
The real structure of Na3BiO4 by electron microscopy, HR-XRD and PDF analysis (2005)
Vensky, S., Kienle, L., Dinnebier, R. E., Masadeh, A. S., Billinge, S. J. L., Jansen, M.