Octahedral tilting in ACu3Ru4O12 (A=Na, Ca, Sr, La, Nd)

The perovskite-like compounds ACu₃Ru₄O₁₂ (A=Na, Ca, Sr, La, Nd) are studied by means of density functional theory based electronic structure calculations using the augmented spherical wave (ASW) method. The electronic properties are strongly influenced by covalent-type bonding between transition metal d and oxygen p states. The characteristic tilting of the RuO₆ octahedra arises mainly from the Cu–O bonding, allowing for optimal bond lengths between these two atoms. Our results provide a deeper understanding of octahedral tilting as a universal mechanism, applicable to a large variety of multinary compounds.     

Luminescent properties of a new In-based organic liquid scintillation system

A novel liquid scintillator system using metal β-diketonate chemistry based on loadings of indium, a target of current interest in low energy solar neutrino detection, is developed. The optical absorption, fluorescence and scintillation properties for this new system are described. The scintillation light output as found from the irradiation by low energy gamma-rays is presented. Notable light yields are found.     

Characterization of oxide layers on amorphous Mg-based alloys by Auger electron spectroscopy with sputter depth profiling

Amorphous ribbons of Mg-Y-TM-[Ag] (TM: Cu, Ni), prepared by melt spinning, were subjected to electrochemical investigations. Oxide layers formed anodically under potentiostatic control in different electrolytes were investigated by AES and sputter depth profiling. Problems and specific features of characterization of the composition of oxide layers and amorphous ternary or quaternary Mg-based alloys have been investigated. In the alloys the Mg(KL(23)L(23)) peak exhibits a different shape compared to that in the pure element. Analysis of the peak of elastically scattered electrons proved the absence of plasmon loss features, characteristic of pure Mg, in the alloy. A different loss feature emerges in Mg(KL(23)L(23)) and Cu(L(23)VV). The system Mg-Y-TM-[Ag] suffers preferential sputtering. Depletion of Mg and enrichment of TM and Y are found. This is attributed mainly to the preferential sputtering of Mg. Thickness and composition of the formed oxide layer depend on the electrochemical treatment. After removing the oxide by sputtering the concentration of the underlying alloy was found to be affected by the treatment.     

The design of molecules containing planar tetracoordinate carbon

A novel preference for planar tetracoordination was observed over the conventional tetrahedral arrangement in a new series of C₅H₂, C₅H₄, C₅H₄^1+/2+ and related compounds. The stability of these molecules is assessed with the ring-opening barriers, HOMO-LUMO gap, singlet-triplet energy differences and nucleus independent chemical shift values.     

Remote-doping scattering and the local field corrections in the 2D electron system in a modulation-doped Si/SiGe quantum well

The small, about 30% magnetoresistance at the onset of full spin polarization in the 2D electron system in a modulation-doped Si/SiGe quantum well gives evidence that it is the remote doping that determines the transport scattering time. Measurements of the mobility in this strongly-interacting electron system with remote-doping scattering allow us to arrive at a conclusion that the Hubbard form underestimates the local field corrections by about a factor of 2.     

非对称核物质中同位旋对称势的动量和密度依赖性

在Brueckner-Hartree-Fock理论框架内, 研究了同位旋非对称核物质中质子和中子单粒子势的动量相关性及其随同位旋非对称度的变化, 在此基础上计算了同位旋对称势, 并讨论了三体核力的影响. 结果表明同位旋对称势对于同位旋非对称度的依赖性很弱, 但对于动量和密度均有较强的依赖性. 当密度固定时, 同位旋对称势随动量增加而减小. 尽管三体核力对于质子和中子单粒子势的动量相关性有较大影响, 但对同位旋对称势的影响很小. 还与目前重离子碰撞输运理论模型中所使用的各种参数化的唯象对称势进行了比较.