Magnetic structures and crystal field in the heavy electron materials YbAgGe and YbPtIn

We have examined the magnetic properties of the heavy electron compounds YbAgGe and YbPtIn by ¹⁷⁰Yb M?ssbauer spectroscopy down to 0.1 K, and the crystal field properties of YbAgGe by Perturbed Angular Correlations (PAC) measurements up to 900 K. In YbAgGe, we show that each of the two magnetically ordered phases below 0.8 K involves a specific incommensurate modulation of the Yb moment. An analysis of existing low temperature specific heat data suggests the persistence of fluctuations of the correlated Yb spins down to 0.1 K. The PAC data allow to discriminate among proposed Yb³⁺ crystal field level schemes. In YbPtIn, we show that the low temperature magnetic order phase has an antiferro-para structure, where zero moment Yb ions coexist with large moment ones, and that a 90° moment reorientation occurs at 1.4 K.     

变参数波振器中小信号增益公式

利用微扰展开技术推导出变参数波振器的小信号增益两个近似求积表达式并将其计算结果与数值模拟结果进行了比较,二者吻合很好。利用近似解析式对小信号增益进行了初步探讨,得到了电子入射能量可低于初始谐振能,能散度允许范围受波振器设计影响以及降低锥度改变率可提高小信号增益等新结论。     

A density functional theory computational study of the role of ligand on the stability of CuI and CuII species associated with ATRP and SET‐LRP

Atom transfer radical polymerization (ATRP) and single electron‐transfer living radical polymerization (SET‐LRP) both utilize copper complexes of various oxidation states with N‐ligands to perform their respective activation and deactivation steps. Herein, we utilize DFT (B3YLP) methods to determine the preferred ligand‐binding geometries for Cu/N‐ligand complexes related to ATRP and SET‐LRP. We find that those ligands capable of achieving tetrahedral complexes with Cu^I and trigonal bipyramidal with axial halide complexes with [Cu^IIX]⁺ have higher energies of stabilization. We were able to correlate calculated preferential stabilization of [Cu^IIX]⁺ with those ligands that perform best in SET‐LRP. A crude calculation of energy of disproportionation revealed that the same preferential binding of [Cu^IIX]⁺ results in increased propensity for disproportionation. Finally, by examining the relative energies of the basic steps of ATRP and SET‐LRP, we were able to rationalize the transition from the ATRP mechanism to the SET‐LRP mechanism as we transition from typical nonpolar ATRP solvents to polar SET‐LRP solvents. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4950–4964, 2007     

Shape-controlled synthesis of nanocrystalline titania at low temperature

The interesting shape (shuttle-like, sphere with needles, uniform particles) rutile titania were prepared by the hydrolysis of TiCl₄ in high acidic aqueous solution in the absence or presence of PEG-1000. PEG-1000 acted as dispersant, which could control the shape and size of the precipitate of titania. As a result, shuttle-like nanocrystalline appeared and the aggregation was improved with the increase of the amount of acid and the decrease of the concentration of TiCl₄ in the absence of PEG-1000. Uniform nanoparticles were obtained in the presence of PEG-1000 and the diameter of the particles decreased with increasing the amount of PEG-1000. This process simplification will lower production cost and make continuous process possible. The products were analyzed using X-ray diffractometer, transmission electron microscopy.     

Microscopic conditions favoring itinerant ferromagnetism: Hund's rule coupling and orbital degeneracy

The importance of Hund's rule coupling for the stabilization of itinerant ferromagnetism is investigated within a two-band Hubbard model. The magnetic phase diagram is calculated by finite-temperature quantum Monte-Carlo simulations within the dynamical mean-field theory. Ferromagnetism is found in a broad range of electron fillings whereas antiferromagnetism exists only near half filling. The possibility of orbital ordering at quarter filling is also analyzed. Received: 26 February 1998 / Accepted: 17 April 1998     

Application of the stabilization method to interacting resonances

The stabilization method is applied to the case of interacting resonances in the photo-dissociation of van der Waals clusters composed by a rare gas atom bound to a dihalogen molecule. The study of an illustrative two-dimensional model consisting in a T-shaped NeI₂ molecule shows the adequacy of the method whenever the projection of the stabilization wave functions on the assumed prepared initial state is accounted for. The agreement of the fragmentation cross-sections with some previous results using the effective resolvent method and accurate close-coupling calculations is excellent. The method reveals its utility as a complementary tool since allows, through the analysis of the stabilization wave function in terms of zero-order levels, a precise characterization of the resonant states involved. Received 5 April 2002 / Received in final form 24 May 2002 Published online 19 July 2002     

Colossal magnetoresistance manganites: A new approach

Manganites of the LA_1−x Ca _x MnO₃ family show a variety of new and poorly understood electronic, magnetic and structural effects. Here we outline a new approach recently proposed by us, where we argue that due to strong Jahn-Teller (JT) coupling with phonons the twofold degeneratee _g states at the Mn sites dynamically reorganize themselves into localised, JT polaronsl with exponentially small inter-site hopping, and band-like, nonpolaronic statesb, leading to anew 2-band model for manganites which includes strong Coulomb and Hund’s couplings. We also discuss some results from a dynamical mean-field theory treatment of the model which explains quantitatively a wide variety of experimental results, including insulator-metal transitions and CMR, in terms of the influence of physical conditions on the relative energies and occupation of thel andb states. We argue that this microscopic coexistence of the two types of electronic states, and their relative occupation and spatial correlation is the key to manganite physics. Dedicated to Professor C N R Rao on his 70th birthday     

Activity of TiO2 deposited by the CVD method on ammoxidized surface of a carbonaceous material in hydrogenation of styrene

Hydrogenation of styrene has been applied as a test reaction to study the catalytic activity of TiO₂ deposited by the CVD (chemical vapour deposition) method on the surface of a carbonaceous material enriched in nitrogen (C_N).     

Basic study of the gelation of dimethacrylate‐type crosslinking agents

An investigation was made of the gelation of dimethacrylate‐type crosslinking agents in view of an application for separation media. The study mainly centered on a crosslinking agent, glycerol dimethacrylate (GDMA), which is relatively hydrophilic because of a hydroxyl group in the middle of its structure. The gelation of GDMA was compared with that of other hydrophobic crosslinking agents such as ethylene glycol dimethacrylate and 1,6‐hexanediol dimethacrylate. The diluents used in the study were toluene, toluene with methanol, and cyclohexanol. The gelation was observed in real time with a charge coupled device camera and dynamic light scattering (DLS). Also, the separated dry gels were extensively characterized with scanning electron microscopy, BET (N₂ absorption and desorption isotherm), and Fourier transform infrared. DLS analysis showed a stronger molecular interaction of GDMA gelation in toluene, whereas this interaction was much weaker in an alcoholic solvent such as toluene with methanol or cyclohexanol. This indicated that GDMA gelation might proceed through hydrogen bonding as well as a crosslinking reaction of vinyl groups. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 949–958, 2006