A Smplified Method for the Computation of Correlation Effects on the Band Structure of Semiconductors

We present a simplified computational scheme in order to calculate the effects of electron correlations on the energy bands of diamond and silicon. By adopting a quasiparticle picture we compute first the relaxation and polarization effects around an electron set into a conduction-band Wannier orbital. This is done by allowing the valence orbitals to relax within a self-consistent field (SCF) calculation. The diagonal matrix element of the Hamiltonian leads to a shift of the center of gravity of the conduction band while the off-diagonal matrix elements result in a small reduction of the conduction-electron bandwidth. This calculation is supplemented by the computation of the loss of ground-state correlations due to the blocked Wannier orbital into which the added electron has been placed. The same procedure applies to the removal of an electron, i.e., to the valence bands. But the latter have been calculated previously in some detail and previous results are used to estimate the energy gap in the two materials. The numerical data reported here show that the methods works, in principle, but that some extension of the scheme is also necessary to obtain fully satisfactory results.Dedicated to J.-P. Malrieu on the occasion of his 60th birthday     

Synthesis and properties of carbon-chain polymers with pendant 1,3,4-oxadiazole rings

Carbon-chain polymers with 1,3,4-oxadiazole rings were prepared by radical polymerization and polymer-analogous transformations. The kinetic relationships of the polymerization of vinyl-1,3,4-oxadiazole monomers and some properties of the resulting polymers were studied. The thermodynamics of interaction of poly-2-vinyl-5-methyl-1,3,4-oxadiazole, a nonionic water-soluble polymer, with water was examined.     

Properties of the extraction system constituted by phosphoric acid produced from Khibiny apatite and tri-n-butyl phosphate

Data on the equilibrium distribution of phosphoric acid among the aqueous and organic phases in extraction of phosphoric acid with tri-n-butyl phosphate are presented for the system constituted by phosphoric acid produced from the Khibiny concentrate and by the extracting agent from the industrial system for purification of extraction phosphoric acid at 25–50°C.     

Chemisorption of vapors of organic substances on a modified silica gel

Experimental data on the equilibrium and dynamics of chemisorption of vapors of organic substances on a silica gel modified with color reagents are presented.     

146Ce核的八级形变带和准γ带

通过测量²⁵²Cf自发裂变所产生的瞬发γ射线, 对¹⁴⁶Ce核的高自旋结构进行了重新研究, 结果更新了以前报道的能级纲图, 把八级形变集体带扩展到更高的自旋, 并且重新构建了可能的准γ带结构. 此外, 用反射不对称壳模型(RASM)对¹⁴⁶Ce核的八级形变带进行了计算, 低自旋处的计算结果与实验数据符合得很好.     

Electrical and magnetic properties of CoFeAlO thin films

Influences of oxygen-partial pressure and annealing on the electrical and magnetic properties of CoFeAlO thin films were systematically investigated by means of resistivity, permeability, magnetization and ferromagnetic resonance (FMR) measurements. It was found that, with increasing oxygen-partial pressure or under annealing, the electrical resistivity of the film increased and the magnetic softness decreased, which is attributed to the microstructural change of the film. Interestingly, an as-deposited Co_45.30Fe_20.65Al_19.34O_14.71 film was found to exhibit an inverted hysteresis loop with negative coercivity, and this peculiar phenomenon disappeared upon effects of oxygen-partial pressure and annealing. It was also found that the as-deposited films owned a narrow FMR line width that increased with increasing oxygen-partial pressure or under annealing.     

In situ observations of domain wall motion in Mn–Zn and Ni–Zn ferrites by Lorentz microscopy and electron holography

Domain wall motion in Mn–Zn and Ni–Zn ferrites with applied magnetic fields is investigated by in situ observations with Lorentz microscopy and electron holography. It is found that both Mn–Zn and Ni–Zn ferrites have a mean grain size of approximately 10 μm and several pores with sizes ranging from 0.2 to 1.1 μm. In situ observations by Lorentz microscopy with an applied magnetic field reveals that in Mn–Zn ferrite, the domain walls move easily across the grain boundary, while in Ni–Zn ferrite, the domain walls move along the grain boundary but are pinned at the grain boundary and pores. From in situ observations of Ni–Zn ferrite by electron holography, it is clarified that domain wall pinning at the grain boundary retards a sensitive increase in magnetic flux parallel to the applied field direction, which is considered to result in high hysteresis loss.     

Numerical simulation of the spatiotemporal evolution of a nanoparticle–plasma system

A one-dimensional nanodusty plasma was modeled by self-consistently coupling a plasma model with nanoparticle growth, charging, and transport models. As nanoparticles grow from subnanometer to tens of nm in diameter, the numerical results predict a rich spatiotemporal structure, including four distinct temporal phases: a charge-limited phase, a charge accumulation phase, an early ion drag phase, and a sheath interaction phase.