First principles investigations of Fe,Co, Ni in model honeycomb carbon networks

The behaviors of ferromagnetic transition metals of the first period: Fe, Co and Ni are examined within density functional theory calculations in two dimensional carbon extended networks using model structure LiC₆. Around geometry optimized structures, the energy-volume equations of states considering non magnetic and spin polarized configurations established ferromagnetic ground states with magnetizations –reduced with respect to the metals’– of 2 μ_B for FeC₆ and 1 μ_B for CoC₆ while no magnetic solution could be identified for NiC₆. In the D_6h point group of the P6/mmm space group l_m decomposition of the d states results with increasing energy into doublet state E_1g with d(x²-y²) and d(xy); singlet state A_1g d(z²) and doublet state E_2g d(xz) and d(yz) lying on E_F and responsible of the onset of magnetic moments. This was mirrored via molecular orbital approach with a construct of Fe embedded between two extended carbon networks thus validating the model structure proposed for TC₆ compounds. The 100% polarization in one spin channel allows proposing potential uses in spintronics applications.     

WEAK CONVERGENCE FOR NON-UNIFORM φ-MIXING RANDOM FIELDS

Let $\{\xi_{\bold t}, {\bold t} \in {\bold Z}^d\}$ be a nonuniform $\varphi$-mixing strictly stationary real random field with $E\xi_{\bold 0}=0, E|\xi_{\bold 0}|^{2+\delta}<\infty$ for some $0<\delta<1$. A sufficient condition is given for the sequence of partial sum set-indexed process $\{Z_n(A),\ A\in \Cal A\}$ to converge to Brownian motion. By a direct calculation, the author shows that the result holds for a more general class of set index ${\Cal A}$, where ${\Cal A}$ is assumed only to have the metric entropy exponent $r, 0相似文献   

一种可能的简并谱NNS分布

利用随机矩阵理论,通过对一特殊情形的简并谱展开研究,得到了简并谱一种可能的最小相邻间距NNS分布函数．研究表明,由于简并的存在,简并谱不仅可分解成随机谱和规则谱两个子谱,同时还影响其规则谱,使规则谱的能级斥力减少．     

On the average complexity of 3D-Voronoi diagrams of random points on convex polytopes

It is well known that the complexity, i.e. the number of vertices, edges and faces, of the 3-dimensional Voronoi diagram of n points can be as bad as Θ(n²). It is also known that if the points are chosen Independently Identically Distributed uniformly from a 3-dimensional region such as a cube or sphere, then the expected complexity falls to O(n). In this paper we introduce the problem of analyzing what occurs if the points are chosen from a 2-dimensional region in 3-dimensional space. As an example, we examine the situation when the points are drawn from a Poisson distribution with rate n on the surface of a convex polytope. We prove that, in this case, the expected complexity of the resulting Voronoi diagram is O(n).     

The generation of three-dimensional internal waves and attendant boundary layers in a viscous continuously stratified fluid. Construction of an analytical solution

An analytical solution of a linearized problem of the emission of periodic internal waves by part of a plane which oscillates with a small amplitude in an arbitrary direction in a viscous exponentially stratified fluid is constructed. Solutions of the dispersion equation are given for all positions of the emitting surface (arbitrary, vertical, horizontal, and critical when one of the beam propagation directions is collinear with the emitting surface). The possibility of transition to the case of a uniform fluid, which is important for applications, is analyzed.     

Synthesis of molecular imprinted organic-inorganic hybrid polymer binding caffeine

Random copolymers of poly{(methacrylamide)-co-(vinyl trimethoxysilane)} and poly{(methacrylic acid)-co-(vinyl trimethoxysilane)} were synthesized via a free radical polymerization reaction. Acid catalyzed sol-gel process of tetraethylorthosilicate (TEOS) with aforementioned polymers in the presence of methyl xanthine class of alkaloid like caffeine resulted in the formation of highly transparent monoliths. Solvent extraction of the template leaves behind the recognition sites intact with high selectivity towards the print molecule. The ionic and non-specific adsorptions, which are considered to be the main disadvantages of the molecularly imprinted polymers (MIP), are prevented to a considerable extent by the end capping of surface silanol groups. The template binding efficiencies of MIP were determined by HPLC analysis.     

基于重复测量数据的Poisson回归模型的偏大离差的Score检验

Poisson回归模型广泛应用于分析计数型数据 ,Dean&Lawless(1989)和Dean(1992 )讨论了非重复测量得到的计数型数据的偏大离差存在性的检验问题 .本文分别利用随机系数模型和对数非线性模型讨论了基于重复测量得到的计数型数据的偏大离差的检验问题 ,得到了检验的score统计量 .     

Deconvolution of very low primary energy SIMS depth profiles

In this paper, the deconvolution of SIMS profiles analysed at very low primary energy (0.5 keV/O₂⁺) is addressed. The depth resolution function (DRF) of the SIMS analysis in presence of roughness is established and a deconvolution procedure is implemented without or in presence of roughness on samples containing delta-doped layers of boron in silicon. It is shown that the deconvolution procedure can lead to a great improvement of the full width at half maximum (FWHM) of the measured peaks in the case where no roughness in detected in the crater bottom. In the case where it is present, the conditions required to use a deconvolution procedure are discussed, and the deconvolution is implemented using precise and restrictive assumptions.     

Magnetic Properties of Metallic Multilayered Systems

Hyperfine Interactions - The giant magnetoresistance (GMR) effect was an epoch-making discovery in the field of magnetic materials research. In this article, studies on magnetic multilayered...