Converged properties of clean metal surfaces by all-electron first-principles calculations

All-electron full-potential linearized augmented plane-wave calculations of the surface energy, work function, and interlayer spacings of close-packed metal surfaces are presented, in particular, for the free-electron-like metal surfaces, Mg(0 0 0 1) and Al(1 1 1), and for the transition metal surfaces, Ti(0 0 0 1), Cu(1 1 1), Pd(1 1 1), and Pt(1 1 1). We investigate the convergence of the surface energy as a function of the number of layers in the slab, using the Cu(1 1 1) surface as an example. The results show that the surface energy, as obtained using total energies of the slab and bulk from separate calculations, converges well with respect to the number of layers in the slab. Obviously, it is necessary that bulk and surface calculations are performed with the same high accuracy. Furthermore, we discuss the performance of the local-density and generalized gradient approximations for the exchange-correlation functional in describing the various surface properties.     

Density functional theory investigation of the structure of SO2 and SO3 on Cu(1 1 1) and Ni(1 1 1)

Density functional theory (DFT) slab calculations, mainly using the generalised gradient approximation, have been used to investigate the minimum energy structures of molecular SO₂ and SO₃ on Cu(1 1 1) and Ni(1 1 1) surfaces. On Ni(1 1 1) the optimal local adsorption structures are in close agreement with experimental results for both molecular species obtained using the X-ray standing wavefield technique, although for adsorbed SO₂ the energetic difference between two alternative lateral positions of the lying-down molecule on the surface is marginally significant. On Cu(1 1 1) the results for adsorbed SO₂, in particular, were sensitive to the DFT functional used in the calculations, but in all cases failed to reproduce the experimentally-established preference for adsorption with the molecular plane perpendicular to the surface. This result is discussed in the context of previously published DFT results for these species adsorbed on Cu(1 0 0). The optimal geometry found for SO₃ on Cu(1 1 1) is similar to that on Ni(1 1 1), providing agreement with experiment regarding the molecular orientation but not the adsorption site.     

Generalized fractional programming duality: A parametric approach

Using a parametric approach, duality is presented for a minimax fractional programming problem that involves several ratios in the objective function.The first author is thankful to Natural Science and Engineering Research Council of Canada for financial support through Grant A-5319, and the authors are thankful to the anonymous referees for useful suggestions.     

统计优化迭代法测量质子交换波导折射率分布

提出了一种用于拟合测量渐变波导的折射率分布的新的理论处理。该方法把统计优化手段导入循环迭代法 ,可适用于费米函数这一类曲线变化范围大、且有多个自变量的函数。实验上用焦磷酸质子交换制备了LiNbO3波导样品 ,用该方法对退火后的折射率分布作了测量拟合 ,折射率拟合值与实验值的均方差为± 8.2× 10 - 4。     

斜角入射沉积法制备渐变折射率薄膜的折射率分析

斜角入射沉积法是一种制备薄膜的新颖方法,它可以用来制备渐变折射率薄膜.本文首先探讨了膜料的沉积入射角为α,薄膜柱状生长倾斜角为β时的薄膜的填充系数;之后利用drude理论,分析研究了斜角入射沉积法制备渐变折射率薄膜的折射率与薄膜的入射角和生长方向的关系. 关键词： 斜角入射沉积 渐变折射率 填充系数     

宽带放大器用碲基掺铒光纤结构参量的设计考虑

利用光波导理论及均匀展宽四能级模型，研究了宽带放大器用阶跃型折射率分布碲基掺铒光纤的结构参量—纤芯半径和相对折射率差的设计考虑.理论研究表明，在单模传输条件下，为获取最大信号增益，宜选择相对折射率差大的碲基掺铒光纤来构建光纤放大器.相对折射率差一定的情况下，在高泵浦功率、小信号输入或光纤长度短于各信道最佳增益长度时，选择纤芯半径大的碲基掺铒光纤可以得到大的信号增益；反之，宜选择纤芯半径小的碲基掺铒光纤.     

Widely tunable long-period fiber grating with nm-thick higher refractive index film overlay

By introducing a four-layer step-index waveguide modeling, the characteristics of long-period fiber grating (LPFG) with an nm-thick film overlay, which has higher refractive index than that of fiber cladding are investigated in detail. The influence of both the overlay thickness and refractive index on the tuning ability of LPFG is analyzed. The numerical results demonstrate that spectral response of LPFG is divided into three distinct regions as the overlay deposition increases and the shift of resonant wavelength is drastic in some special thickness range. In conjunction with higher-order cladding mode coupling and fiber cladding etching, the sensitivity of LPFG to the overlay refractive index is enhanced significantly and over 120 nm resonant wavelength tunable range is achieved.     

标的资产服从几何分数布朗运动的期权定价

本文在M ogens B ladt和T ina H av iid R ydberg无市场假设,仅利用价格过程的实际概率的期权保险精算定价模型的基础上,得出了标的资产服从几何分数布朗运动的欧式期权定价公式,并说明了几何布朗运动是本文的一种特殊情况.     

f(R) theories of gravity in the Palatini approach matched with observations

We investigate the viability of f(R) theories in the framework of the Palatini approach as solutions to the problem of the observed accelerated expansion of the universe. Two physically motivated popular choices for f(R) are considered,: power law, f(R) = β R ⁿ , and logarithmic, f(R) = α ln R. Under the Palatini approach, both Lagrangians give rise to cosmological models comprising only standard matter and undergoing a present phase of accelerated expansion. We use the Hubble diagram of type Ia Supernovae and the data on the gas mass fraction in relaxed galaxy clusters to see whether these models are able to reproduce what is observed and to constrain their parameters. It turns out that they are indeed able to fit the data with values of the Hubble constant and of the matter density parameter in agreement with some model independent estimates, but the today deceleration parameter is higher than what is measured in the concordance ΛCDM model.     

Cyclic cohomology and algebra extensions

We construct a spectral sequence to study cyclic cohomology for an extension A = R/I of algebras. When R is a free algebra we describe the cyclic cohomology of A in terms of traces defined on R or powers of I. Explicit cyclic cocycles representing the cyclic cohomology class belonging to the trace are constructed as analogues of Chern character and Chern-Simons forms.Dedicated to Alexander Grothendieck