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31.
Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively. 相似文献
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在二极管泵浦固体激光器耦合光学系统中,柱面透镜起着非常重要的作用。随着系统轻量化、小型化的要求需要用重量轻、尺寸小的光学器件来替代。本文介绍一种用于替代柱面透镜的二元光学元件的设计和制作方法。 相似文献
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根据耦合非线性薛定谔方程 ,本文研究了偏振模色散如何影响各种码型的频谱 ,分析了滑频滤波器和固定滤波器对偏振模色散的补偿作用。研究结果表明 :偏振模色散对不同码型的频谱影响是不一样的 ,对色散管理孤子的频谱影响最大 ,产生新的频率分量也最多 ,而且每个新频率分量都较强 ,比入射频谱展宽许多 ;滑频滤波器和固定滤波器对偏振模色散都具有补偿作用 ,使最大可传输距离成倍增加 ,两种滤波器对偏振模色散的补偿作用相差较小 ;但是对色散管理孤子系统中的偏振模色散补偿效果最佳。 相似文献
35.
Pyroelectricity and Spontaneous Polarization in [111] Oriented 0.955 Pb(Zn1/3Nb2/3)O3-0.045PbTiO3 Single Crystals
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We report that the measurements of the pyroelectric current of the pre-poled [111]-oriented 0.955 Pb(Zn1/3Nb2/3) O3-0.045 PbTiO3 (PZN-4.5%PT) single crystals can shed some light on the phase transition and spontaneous polarization characters of this material in a similar way to measures of remanent polarization and dielectric properties. The pyroelectric current is measured and the corresponding spontaneous polarization is calculated as a function of temperature with various poling fields added during cooling the sample from 200℃ to room temperature. Critical electric field of 0.061 k V/cm is found to be essential to induce the intermediate ferroelectric orthorhombic phase between the ferroelectric rhombohedral and tetragonal phases. Below the critical field, the polarization increases almost linearly with the increase of poling field. At the critical field, the polarization at 30OC increases abruptly from 14μC/cm^2 for a poling field of O.06kV/cm to 29.5μC/cm^2 for a poling field of 0.061 kV/cm, and afterwards, increases slowly and saturates to 31 μC/cm^2 for poling fields beyond 0.55 kV/cm. 相似文献
36.
Effects of External Electric Field on Ferroelectric Superlattice with Two Alternating Layers
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The effects of the external electric field on the ferroelectric superlattice with two alternating layers have been studied using the transverse Ising model based on the effective-field theory with the differential technique. The hysteresis loops and susceptibility of the system have been given. The stronger the external electric field, the smaller the susceptibility, reflecting that the polarization is weaker. 相似文献
37.
Polarization self-modulation effect in a free oscillated Nd:YAG laser is investigated after a quarter wave plate is introduced independently in the two positions of the cavity. As described in the previous experiments, the intensity components in the orthogonal directions are modulated with a period of the round-trip time or twice. Different pulse shapes reveal that the seed field from the spontaneous emission is not uniform and seems to be stochastic for each pulse. 相似文献
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在过去的几年间,大量的实验结果已经表明中微子有非零质量以及轻子味混合。这一进展为我们打开了一个全新的值得探索的基本粒子世界。关于中微子我们已经知道了多少,我们想要发现什么?本文将从理论与唯象的观点进行阐述。目前中微子物理的前沿问题主要包括:中微子真的发生味转化吗?有几代中微子?存在惰性中微子吗?中微子的质量是多少?中微子是马约拉纳粒子还是狄拉克粒子?轻子味混合矩阵的混合角有多大?轻子味混合矩阵包含CP破坏位相吗?如果包含,那么在中微子振荡和无中微子双β衰变中,这些位相会导致可探测的CP破坏效应吗? 相似文献