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101.
PbWO4晶体空位型缺陷电子结构的研究   总被引:12,自引:1,他引:11       下载免费PDF全文
姚明珍  梁玲  顾牡  段勇  马晓辉 《物理学报》2002,51(1):125-128
采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词: PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布  相似文献   
102.
Chulsu Jo  Y.-R. Jang 《Surface science》2006,600(8):1592-1595
Magnetic properties of Co chain-coated carbon nanotube (CNT) were investigated using a first-principles calculation. Binding energy between Co chain and CNT increased with the coverage ratio, and the adsorption of Co chains on CNT enhanced the conductance channel. Total magnetic moment of Co chains coated on CNT increased with the coverage ratio, while the magnetic moment per Co atom decreased due to spin flip of majority spin states in Co atoms. Spin polarization at the Fermi level of the Co chains was calculated to converge to that of bulk fcc Co.  相似文献   
103.
In a way similar to the continuous case formally, we define in different but equivalent manners the difference discrete connection and curvature on discrete vector bundle over the regular lattice as base space. We deal with the difference operators as the discrete counterparts of the derivatives based upon the differential calculus on the lattice. One of the definitions can be extended to the case over the random lattice. We also discuss the relation between our approach and the lattice gauge theory and apply to the discrete integrable systems.  相似文献   
104.
In this paper, for the the primes p such that 3 is a divisor of p − 1, we prove a result which reduces the computation of the linear complexity of a sequence over GF(p m) (any positive integer m) with the period 3n (n and p m − 1 are coprime) to the computation of the linear complexities of three sequences with the period n. Combined with some known algorithms such as generalized Games-Chan algorithm, Berlekamp-Massey algorithm and Xiao-Wei-Lam-Imamura algorithm, we can determine the linear complexity of any sequence over GF(p m) with the period 3n (n and p m − 1 are coprime) more efficiently.  相似文献   
105.
The plastic deformation field near the horizontal surface of a half space of perfectly plastic material associated with an indenting rotating rigid tooth is studied using slip line theory. The tooth is one of many on a roll surface and indents first into the half-space material and then rotates about the roll center. A slip line field is proposed for the deforming plastic region and a solution scheme is outlined. The emphasis is on determining the shape of the deforming region, especially that of the free surface. The study has a potential application in roughness transfer in metal forming processing.  相似文献   
106.
考虑Duffing方程x+g(x,t)=h(t),在g(x,t)满足简单的凸凹性条件。以及g'(x,t)跨越第一共振点时,本文指出,当强迫振动项h(t)充分小时,所讨论的Duffing方程的2π周期解恰有三个.  相似文献   
107.
The phase boundary theory and the contact rule of phase regions are compared, and some weaknesses of the latter are manifested. The comparison between the Gupta’s method and the boundary theory method for constructing multicomponent isobaric sections is also presented.  相似文献   
108.
Ultra-thin (0.5-5 nm) films of Ag have been prepared by pulsed laser deposition in vacuum using a 26 ns KrF excimer laser at 1 J cm−2. The deposition was controlled using a Langmuir ion probe and a quartz crystal thickness monitor. Transmission electron microscopy showed that the films are not continuous, but are structured on nanometer size scales. Optical absorption spectra showed the expected surface plasmon resonance feature, which shifted to longer wavelength and increased in strength as the equivalent film thickness was increased. It is shown that Maxwell Garnett effective medium theory can be used to calculate the main features of optical absorption spectra.  相似文献   
109.
针对人力资本组合投资模式仅定性分析职员和企业对人力资本投资行为的特点,应用博弈论进行了相应的定量分析,将贝克尔投资模式与组合投资模式相结合,建立了确定企业投资比率的计算公式,为企业进行人力资本培训投资提供了定量的决策依据。  相似文献   
110.
In this paper, an adaptive FE analysis is presented based on error estimation, adaptive mesh refinement and data transfer for enriched plasticity continua in the modelling of strain localization. As the classical continuum models suffer from pathological mesh-dependence in the strain softening models, the governing equations are regularized by adding rotational degrees-of-freedom to the conventional degrees-of-freedom. Adaptive strategy using element elongation is applied to compute the distribution of required element size using the estimated error distribution. Once a new mesh is generated, state variables and history-dependent variables are mapped from the old finite element mesh to the new one. In order to transfer the history-dependent variables from the old to new mesh, the values of internal variables available at Gauss point are first projected at nodes of old mesh, then the values of the old nodes are transferred to the nodes of new mesh and finally, the values at Gauss points of new elements are determined with respect to nodal values of the new mesh. Finally, the efficiency of the proposed model and computational algorithms is demonstrated by several numerical examples.  相似文献   
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