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1.
A theoretical study of the oxygen K-edge near-edge X-ray absorption ne structure of N2O/Ir(110) 下载免费PDF全文
A multiple-scattering cluster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N2O/Ir(110) and its monolayer. Two peaks and one weak resonance appear in both cases. The selfconsistent field DV-X calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance σ1. This setup is intrinsic to the N2O monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data. 相似文献
2.
Monte Carlo simulations of the extinction rate of electromagnetic wave propagation in the duststorm were presented. The numerical
procedure was based on the multiple scattering and independent scattering. The calculated multiple scattering attenuation
rate is in good agreement with the measured one, but differs significantly from those obtained under the independent scattering
assumption. At the same time, the factors of size parameter, frequency of incident wave, the angle of incident, and sands
permittivity and water content have been considered in the attenuation of electromagnetic wave propagation in the duststorm.
Numerical results obtained showed that the attenuation rate increases as the fractional volume, frequency of incident wave
and sands permittivity increase, and as the angle of incident increases, the attenuation rate decreases.
Supported by the Key Project of the National Natural Science Foundation of China (Grant No. 10532040) 相似文献
3.
A cluster model is used to calculate electron energy-loss fine structures in crystal. The multiple-scattering self-consistent-field
method is employed in the calculation. Our theoretical results of N near K-edge energy loss fine structures in hexagonal GaN
crystal are in good agreement with the experimental spectra. Future possible experiments in energy-filtered transmission electron
microscopy (EFTEM) are discussed and proposed because our theoretical work can provide clear assignments for transmitted electrons
with different energy losses. 相似文献
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Wahyu Widada Hideki Kinjo Hiroaki Kuze Nobuo Takeuchi Makoto Sasaki 《Optical Review》2001,8(5):382-387
This paper describes the lidar inversion of the tropospheric aerosol extinction profiles under the influence of multiple-scattering effects for various elevation angles of lidar detection. A single-scattering lidar equation is employed to analyze lidar signals with multiple-scattering contributions that are calculated by the Monte Carlo method for given atmospheric conditions. We calculate errors in the optical thickness from the results with and without multiple-scattering effects. It is found that the errors vary in a range of 2#x2013;18#x0025; according to the optical thickness variation of 0.19#x2013;3.8. The dependence of the error on the field-of-view angle of the lidar observation is also discussed. 相似文献
6.
二维光子晶体结构参量对光子禁带特性的影响 总被引:11,自引:2,他引:9
用多重散射法研究了二维光子晶体的结构参量对光子禁带特性的影响。发现光子晶体的晶格常数(d)和组成晶体的介质柱的半径(r)都能同样有效地改变光子禁带的位置,仅改变d时,填充系数ρ降低时光子禁带区Ω向低频区移动,而仅改变r时,ρ增加时Ω向低频区移动。在较宽的参量范围内,Ω的中心频率单独随r增加而线性下降的速度是单独随(,增加而线性下降的速度的2倍。ρ取特定值时,Ω的相对宽度取极大值,其中1次Ω只有1个极大值,而2次Ω存在2个极大值,且2次Ω极大值对应的2个ρ值中有一个刚好是1次Ω极大值对应的ρ值的2倍。 相似文献
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利用X射线近边吸收谱对Fe2P,Ni2P及其掺杂物(Fe1-xNix)2P(x=01,025,05)中Fe,Ni,P的K边进行了研究.结合多重散射理论近边计算,讨论了金属原子不同位置格点3f,3g对近边谱特征的贡献,得出当Ni原子取代Fe原子时将优先占据Fe(3f)格点位置;根据第一性原理对能态的计算发现,不考虑磁性时不同格点P的pDOS未占据态电子结构与P-K近边吸收谱实验相符合;与考虑铁磁性Fe2P 的DOS相比较后结果显示Fe2P的磁性主要来源于Fe(3g)格点,铁磁性Ni2P计算的Ni不同格点原子磁矩均接近于0,与它一般显顺磁性结论相一致.
关键词:
X射线近边吸收谱
电子结构
多重散射理论
态密度 相似文献
9.
随机激光器的理论与研究现状 总被引:2,自引:0,他引:2
综述了随机激光器的最新理论与实验进展,对光散射理论、环形腔理论、环形波导理论等各种随机激光理论的内容、应用范围及其差异等进行了重点分析和评述,并介绍了一些随机激光器的重要实验。讨论了随机激光器未来的发展,并描述了随机激光器潜在的应用前景。 相似文献
10.
利用多重散射团簇(MSC)方法计算了二己二硫醚[CH3(CH2)5S]2单分子和多分子硫原子近边x射线吸收精细结构(NEXAFS)谱,给出了二己二硫醚多层膜的局域结构模型. MSC研究显示多层膜中二己二硫醚分子作平行有序排列,彼此相距0.47nm,其横截面呈规则的正方形. 利用离散变分Xα方法计算了二己二硫醚单分子和多分子的电子结构,验证了MSC的计算结果;并阐明了NEXAFS谱中各峰的物理起源. 对多层膜中分子之间的相互作用进行了讨论,发现多层膜的局域结构有分子自组装的特性.
关键词:
3(CH2)5S]2多层膜')" href="#">二己二硫醚[CH3(CH2)5S]2多层膜
近边x射线吸收精细结构
多重散射团簇方法
离散变分Xα方法 相似文献