M. Jansen

Max Planck Institute for Chemical Physics of Solids, Dresden, Saxony, Germany

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Publications (537)756.5 Total impact

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    ABSTRACT: We present the results of zero-field muon-spin relaxation measurements made on the double perovskite insulators Sr$_{2}B$OsO$_6$ ($B={\rm Fe, Y, In}$). Spontaneous muon-spin precession indicative of quasistatic long range magnetic ordering is observed in Sr$_{2}$FeOsO$_6$ within the AF1 antiferromagnetic phase for temperatures below $T_{\rm N}=135 \pm 2~{\rm K}$. Upon cooling below $T_2 \approx 67~{\rm K}$ the oscillations cease to be resolvable owing to the coexistence of the AF1 and AF2 phases, which leads to a broader range of internal magnetic fields. Using density functional calculations we identify a candidate muon stopping site within the unit cell, which dipole field simulations show to be consistent with the proposed magnetic structure. The possibility of incommensurate magnetic ordering is discussed for temperatures below $T_{\rm N}=53~{\rm K}$ and $25~{\rm K}$ for Sr$_{2}$YOsO$_6$ and Sr$_{2}$InOsO$_6$, respectively.
    No preview · Article · Jan 2016 · Journal of Physics Condensed Matter
  • M Klanjšek · D Arčon · A Sans · P Adler · M Jansen · C Felser
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    ABSTRACT: The magnetic response of antiferromagnetic CsO_{2}, coming from the p-orbital S=1/2 spins of anionic O_{2}^{-} molecules, is followed by ^{133}Cs nuclear magnetic resonance across the structural phase transition occurring at T_{s1}=61 K on cooling. Above T_{s1}, where spins form a square magnetic lattice, we observe a huge, nonmonotonic temperature dependence of the exchange coupling originating from thermal librations of O_{2}^{-} molecules. Below T_{s1}, where antiferromagnetic spin chains are formed as a result of p-orbital ordering, we observe a spin Tomonaga-Luttinger-liquid behavior of spin dynamics. These two interesting phenomena, which provide rare simple manifestations of the coupling between spin, lattice, and orbital degrees of freedom, establish CsO_{2} as a model system for molecular solids.
    No preview · Article · Jul 2015 · Physical Review Letters
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    ABSTRACT: The exploration and wide application of single walled carbon nanotubes (SWCNTs) require the development of new synthetic approaches enabling facile and fully rational CNT fabrication. In this communication the conversion of two precursors yielding the potential CNT seeds of (9, 0) zigzag and (6, 6) armchair nanotubes using surface-assisted cyclodehydrogenation on the Rh(1 1 1) single-crystal surface is reported. The conversion efficiency found is nearly 100% and the CNT-caps remain thermally stable on the Rh surface up to 820 K which is high enough for subsequent SWCNT growth. It is shown that Rh is a suitable catalyst for the controllable synthesis of SWCNTs by the surface assisted bottom-up strategy.
    No preview · Article · Apr 2015
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    ABSTRACT: Substitution of Bi for Ca in the red-violet pigment Ca10(PO4)6CuyO2H2-y-δ has been studied in order to access possibilities to vary the color of the pigment. Synthesized compounds have been investigated by powder X-ray diffraction, diffuse reflectance (ultraviolet-visible-near infrared range) and Raman spectroscopy. Initial Bi-free samples contain Cu in the hexagonal channels, and a fraction of the Cu atoms constitutes recently discovered chromophore [O–CuIII–O]−-units. Bi3+ occupies Ca2+ position in the hexagonal channel walls and causes the reduction of the chromophore concentration. A small fraction of Cu2+ substitutes Ca2+ and forms a new chromophore characterized by the main absorption band at 400 nm and the resonant Raman band at 593 cm−1. Consequently, Bi-doping suppresses the initial red-violet color of the pigment while a yellow tint emerges. This may open an opportunity to develop new less-toxic yellow pigments.
    No preview · Article · Feb 2015 · Dyes and Pigments
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    ABSTRACT: We have investigated the structural and magnetic transitions in CsCoO$_2$ using calorimetric measurements, neutron powder diffraction (NPD), density functional theory (DFT) calculations and muon-spin relaxation ($\mu$SR) measurements. CsCoO$_2$ exhibits three-dimensional long-range antiferromagnetic (AFM) order at 424~K, resulting in antiferromagnetic alignment of chains of ferromagnetically ordered Co-Co spin dimers. Although there is no change in magnetic structure around a structural transition at $T^{*}=100$~K, the resulting bifurcation of corner-shared Co--O--Co bond angles causes a weakening of the AFM interaction for one set of bonds along the chains. Consequently, the system undergoes a complex freezing out of relaxation processes on cooling.
    Preview · Article · Oct 2014 · Physical Review B
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    M. Klanjsek · D. Arcon · A. Sans · P. Adler · M. Jansen · C. Felser
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    ABSTRACT: Using 133Cs nuclear magnetic resonance, we follow the magnetic response of CsO2, coming from the p-orbital S=1/2 spins of magnetic O2- anions, across the structural phase transition occuring at Ts1=61 K on cooling. Above Ts1, where spins form a square magnetic lattice, we extract and model an anomalous temperature dependence of the exchange coupling J(T) originating from thermal librations of O2- dumbbells. Below Ts1, we detect a clear sign of the spin Tomonaga-Luttinger liquid demonstrating the formation of magnetic spin chains as a result of the static tilt of O2- dumbbells and accompanying orbital ordering. The extracted J(T) allows us to conclude that orbital overlaps in the orbitally-ordered state are maximized, thereby providing an important clue about the microscopic origin of orbital ordering.
    Full-text · Article · Sep 2014
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    ABSTRACT: Frustrated magnets can exhibit many novel forms of order when exposed to high magnetic fields, however, much less is known about materials where frustration occurs in the presence of itinerant electrons. Here we report thermodynamic and transport measurements on micron-sized single crystals of the triangular-lattice metallic antiferromagnet 2H-AgNiO2, in magnetic fields of up to 90 T and temperatures down to 0.35 K. We observe a cascade of magnetic phase transitions at 13.5 20, 28 and 39T in fields applied along the easy axis, and we combine magnetic torque, specific heat and transport data to construct the field-temperature phase diagram. The results are discussed in the context of a frustrated easy-axis Heisenberg model for the localized moments where intermediate applied magnetic fields are predicted to stabilize a magnetic supersolid phase. Deviations in the measured phase diagram from this model predictions are attributed to the role played by the itinerant electrons.
    Full-text · Article · Jul 2014 · Physical Review B
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    ABSTRACT: High-pressure room-temperature angle-dispersive powder X-ray diffraction measurements on Cu 2 S chal-cocite were performed up to 30 GPa using a diamond-anvil cell, He as pressure transmitting medium and synchrotron radiation. Two first-order phase transitions were found at 3.2 and 7.4 GPa. The indexation of the powder diffraction patterns suggests three different monoclinic cells for the low-pressure chalcocite and the two high-pressure phases. Subtle changes in the X-ray diffraction patterns suggest a third pressure-induced transition above 26 GPa. Structural parameters and compressibility are discussed and compared to those reported in a previous study on Cu 2 S nanowires.
    Full-text · Article · May 2014 · Journal of Alloys and Compounds
  • D. Zagorac · J. C. Schön · J. Zagorac · M. Jansen
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    ABSTRACT: In order to gain new insight in the ZnO system, we performed crystal structure prediction using simulated annealing with an empirical potential and local optimization on ab initio level, both at standard and elevated pressure. We have found the experimentally observed structure types [wurtzite (B4), sphalerite (B3), and rock salt (B1)] in agreement with previous research. In addition, many new interesting modifications were found in different regions of the energy landscape, such as the β-BeO type, the GeP type, the NiAs type, and the so-called "5-5" type modification. At extreme conditions (>150 GPa), we observe a CsCl (B2) type of structure, and as a possible intermediate phase along the NaCl (B1) → CsCl (B2) transition route, we suggest the α-WC (Bh) modification. Furthermore, we have investigated the electronic properties of ZnO structures. Our investigations offer new possibilities of tuning the band gap with pure zinc oxide by employing modifications with different structural arrangements.
    No preview · Article · Jan 2014 · Physical Review B
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    ABSTRACT: The coupling of charge, lattice, orbital, and spin degrees of freedom was studied in a p-electron mixed-valence Cs4O6 compound by the electron paramagnetic resonance (EPR) and Cs-133 nuclear magnetic resonance (NMR). The dramatic differences in the evolution of the EPR and Cs-133 NMR spectra measured under different cooling protocols reveal two competing low-temperature phases: quenched high-temperature cubic and the low-temperature low-symmetry phases, respectively. They differ in the orientation of O-2(-) anion axes, the ordering of p* molecular orbitals, and the superexchange interactions through the Cs+ bridges. The transformation between the two phases involves large amplitude reorientations of O-2 groups and is extremely sluggish, thus explaining the coexistence of both phases and the deviations of the magnetic susceptibility from the simple Curie-Weiss dependence at low temperatures.
    No preview · Article · Nov 2013 · Physical Review B
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    ABSTRACT: Spin and charge transport: The electronic and structural properties obtained from KC60 (THF)5 ⋅2 THF single crystals are reported. An important finding is the presence of one-dimensional electric conductivity and the observation of counterintuitive anisotropy for electron transport.
    No preview · Article · Nov 2013 · Angewandte Chemie International Edition
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    ABSTRACT: The ideal treatment of patients with perforated diverticulitis is still controversial. Hartmann's procedure has been the treatment of choice for decades, but primary anastomosis with a defunctioning stoma has become an accepted alternative. The aim of this study was to evaluate the stoma reversal rates after these two surgical strategies. A retrospective review of the data from patients with perforated sigmoid diverticulitis between 2002 and 2011 undergoing a Hartmann's procedure (HP) versus a primary anastomosis with a defunctioning stoma (PA) was performed. Additionally, patients were contacted by mail or telephone in March 2012 using a standardized questionnaire. A total of 98 patients were identified: 72 undergoing HP and 26 patients receiving PA. The median follow-up time was 63 months (range 4-118). Whilst 85 % of patients with PA have had their stoma reversed, only 58 % of patients with an HP had a stoma reversal (p = 0.046). The median period until stoma reversal was significantly longer for HP (19 weeks) than for PA (12 weeks; p = 0.03). The 30-day mortality for PA was 12 % as opposed to 25 % for HP (p = 0.167). According to the Clavien-Dindo classification, surgical complications occurred significantly less frequently in patients with PA (p = 0.014). The stoma reversal rates for PA are significantly higher than for HP. Thus, depending on the overall clinical situation, primary resection and anastomosis with a proximal defunctioning stoma might be the optimal procedure for selected patients with perforated diverticular disease.
    No preview · Article · Aug 2013 · International Journal of Colorectal Disease
  • M. Jansen · J.C. Schön
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    ABSTRACT: Traditionally, solid-state chemistry has followed the inductive paradigm, where experimental synthesis and observations provide information about the possible compounds in a chemical system and phenomenological and semi-phenomenological models are employed to rationalize a compound's existence (or 'nonexistence'). Over the past 20 years, a new methodology has been developing, the aim of which is the prediction of chemical compounds without any recourse to experimental information, followed by their synthesis. The founding stone of this deductive approach to the rational planning of solid-state syntheses is the global study of the energy landscape of the chemical system under consideration. In this chapter, we present an introduction to the concept of energy landscapes in the context of structure predictions and its implications for synthesis planning. The latter step gives access to calculate phase diagrams without resorting to any prior experimental information. Particularly noteworthy, the approach developed allows the derivation of extended phase diagrams that include metastable compounds in a systematic fashion.
    No preview · Article · Aug 2013
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    ABSTRACT: We present the results of muon-spin relaxation measurements on the triangular lattice Heisenberg antiferromagnet $\alpha$-KCrO$_{2}$. We observe sharp changes in behaviour at an ordering temperature of $T_{\mathrm{c}}=23$ K, with an additional broad feature in the muon-spin relaxation rate evident at T=13 K, both of which correspond to features in the magnetic contribution to the heat capacity. This behaviour is distinct from both the Li- and Na- containing members of the series. These data may be qualitatively described with the established theoretical predictions for the underlying spin system.
    Preview · Article · Jul 2013 · Physical Review B
  • A. Kulkarni · J. C. Schoen · K. Doll · M. Jansen
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    ABSTRACT: Based on ab initio calculations at various pressures meta(stable) modifications of CaN2, LaN2, and TiN2 are predicted.
    No preview · Article · Jun 2013 · ChemInform
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    Ralph Huebner · S Kandaiah · M Jansen

    Full-text · Dataset · Jun 2013
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    R Hundt · J C Schön · S Neelamraju · J Zagorac · M Jansen
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    ABSTRACT: The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust algorithm for the comparison of cluster structures is presented, which is based on the mapping of the point patterns of the two clusters onto each other. This algorithm has been implemented as the module CCL in the structure visualization and analysis program KPLOT.
    Full-text · Article · Jun 2013 · Journal of Applied Crystallography
  • R. Hundt · J.C.Schoen · S.Neelamraju · J. Zagorac · M. Jansen
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    ABSTRACT: An efficient and robust algorithm for the comparison of clusters is presented. Several illustrative example applications are given, including the screening of sets of clusters generated during global optimizations and Monte Carlo/molecular dymanics simulations, the identification of specific structure fragments inside large clusters, and the study of structure-substructure relations of periodic crystals.
    No preview · Article · Apr 2013 · Journal of Applied Crystallography
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    ABSTRACT: We present results of ab initio DFT-based and experimental studies on electrical, piezoelectric and optical properties of the newly synthesized noncentrosymmetric lithium fluorooxoborates, Li2B3O4F3 and Li2B6O9F2. Polar Li2B6O9F2, space group Cc, was found to possess a relatively large spontaneous polarization and some large components of the elasto-electric tensor, compared to non-polar but noncentrosymmetric Li2B3O4F3, space group P212121. Linear and nonlinear optical properties of the crystals are studied theoretically. Second harmonic generation is possible for both crystals, which is demonstrated by calculations of the phase matching conditions and the second order electronic susceptibility. Experimental measurements have confirmed the expected pyroelectric (but not ferroelectric) and piezoelectric properties of Li2B6O9F2. The intensity of second harmonic generation of Li2B6O9F2 has been revealed experimentally to be of the same order of magnitude as that observed in α-SiO2.
    Full-text · Article · Apr 2013 · Journal of Physics and Chemistry of Solids
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    ABSTRACT: Copper-containing calcium phosphates Ca5 − z Yz (PO4)3Cux OH1 − x − z −δ, where x = 0, 0.1, 0.3 and z = 0, 0.5, with an apatite structure and a partial substitution of yttrium for calcium have been synthesized by a solid-phase method at a temperature of 1100–1150°C. The compounds have been characterized by X-ray powder diffraction and diffuse reflectance spectroscopy. It has been established that yttrium substitutes for calcium only in the Ca(2) position, and the occupancy of this position corresponds to the yttrium content z = 0.4–0.43. The substitution by yttrium slightly decreases the unit cell parameter of the compound (by ∼0.3%) and much more considerably (by 3%) reduces the diameter of a hexagonal channel formed by Ca(2) atoms. The predominant fraction of doping copper intrudes into hexagonal channels in both unsubstituted and yttrium-substituted calcium phosphates. Unsubstituted copper-containing phosphates are pink-crimson colored, whereas their yttrium-substituted analogues have much more pale colors from nearly white to greeny beidge. The absorption bands typical for a copper-containing calcium hydroxyapatite observed in diffuse reflectance spectra are strongly suppressed in yttrium-substituted samples probably due to a decreased average oxidation number of copper.
    No preview · Article · Apr 2013 · Russian Journal of Inorganic Chemistry

Publication Stats

4k Citations
756.50 Total Impact Points


  • 2015-2016
    • Max Planck Institute for Chemical Physics of Solids
      Dresden, Saxony, Germany
  • 1998-2015
    • Max Planck Institute for Solid State Research
      Stuttgart, Baden-Württemberg, Germany
  • 2013
    • HELIOS Klinikum Emil von Behring
      Berlin Steglitz Zehlendorf, Berlin, Germany
  • 2012
    • Rutgers, The State University of New Jersey
      Нью-Брансуик, New Jersey, United States
  • 1998-2010
    • University Hospital RWTH Aachen
      • Department of Neurology
      Aachen, North Rhine-Westphalia, Germany
  • 1997-2010
    • RWTH Aachen University
      • • Department of Surgery
      • • Department of Neurosurgery
      Aachen, North Rhine-Westphalia, Germany
  • 1991-2010
    • University of Bonn
      • Institute for Inorganic Chemistry
      Bonn, North Rhine-Westphalia, Germany
  • 2000-2005
    • Max Planck Institute for Intelligent Systems, Stuttgart
      Stuttgart, Baden-Württemberg, Germany
  • 2001
    • European Synchrotron Radiation Facility
      • Division of Experiments
      Grenoble, Rhône-Alpes, France
  • 1998-2001
    • Moscow State Forest University
      Mytishi, Moskovskaya, Russia
  • 1993
    • Bayer HealthCare
      Leverkusen, North Rhine-Westphalia, Germany