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81.
82.
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. 相似文献
83.
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. 相似文献
84.
用斜坡电压法(Voltage Ramp, V-ramp)评价了0.18μm双栅极 CMOS工艺栅极氧化膜击穿电量(Charge to Breakdown, Qbd)和击穿电压(Voltage to Breakdown, Vbd). 研究结果表明,低压器件(1.8V)的栅极氧化膜(薄氧)p型衬底MOS电容和N型衬底电容的击穿电量值相差较小,而高压器件(3.3V)栅极氧化膜(厚氧)p衬底MOS电容和n衬底MOS电容的击穿电量值相差较大,击穿电压测试值也发现与击穿电量
关键词:
薄氧
可靠性
击穿电压
击穿电量 相似文献
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89.
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. 相似文献
90.
Daniel Quillen 《K-Theory》1989,3(3):205-246
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 相似文献