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Cd1-xMnxTe/CdTe superlattices and thin films were grown by molecular beam epitaxy on GaAs (001) substrates. Spectroscopic ellipsometry measurements were performed on Cd1-x Mnx Te/ CdTe superlattices with compositions x = 0.4, 0.8, and Cd1-xMnx Te thin films with x = 0.2, 0.4, 0.6 at room temperature in the photon energy range 1.4-5 eV. In superlattices the pseudodielectric functions measured by ellipsometry show specific features related to the exciton transition between quantized interbands. The exciton transitions related to the heavy holes of 11 H, 22H, and 33H are observed and identified. In thin films spectroscopic ellipsometry allows the clear identification of the energy gap Eo. Additionally, critical point transitions are observable in both the spectra of the superlattices and films. Photoreflectance spectra were also performed at room temperature in order to compare with our ellipsometry results. After taking into account the strain-induced and quantum confinement effects, the theoretical calculations are in good agreement with our experimental spectra. Ellipsometry appears to be a suited technique to monitor the MBE growth, ultimately also in situ, of diluted magnetic low-dimensional systems. 相似文献
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用分子轨道从头算方法,对CH自由基的基态(X2Π)和低激发态(a4Σ-)的光谱数据进行了计算.计算结果表明,在基态CH(X2Π)时,在QCISD(T)/6-311G (3df,3pd)水平上,计算所得的键长R=0.1120981nm,偶极矩μ=1.5891 Debye,ν=2845.43cm-1均与实验值相吻合,在B3PW91/6-311G (3df,3pd)理论水平上,计算的基态能量为-38.496143 Hartree,误差仅为0.22%;对低激发态CH(a4Σ-),使用含时的密度泛函方法(TDDFT)和大基组6-311 G(3df,3pd)计算所得的R=0.1094nm,垂直跃迁能量为0.926eV,均与实验结果有较好的吻合. 相似文献
186.
Thermal Rate Constants of the N(^4S)+O2(X^3∑g^-) → NO(X^2Ⅱ) +O(^3P) Reaction on the ^2A′ Potential Energy Surface 下载免费PDF全文
A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N(^4S)+O2(X^3∑g^-) → NO(X^2Ⅱ) +O(^3P) reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O2 molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000 K determined in this work for the reaction are 4.4 × 10^7, 1.8 × 10^10, and 3.1 × 10^11 cm^3mol^-1s^-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values. 相似文献
187.
Dynamic Mechanism of Sustainable Molecular Orientation Generated From Cyclic Rotational States 下载免费PDF全文
Recently, two papers presented by Ortigoso et al. [Phys. Rev. Lett. 93 (2004) 073001 and Phys. Rev. A 72 (2005) 053401] develop a novel strategy in which the best sustainable molecular alignment/orientation has been achieved. We intend to analyse the dynamic mechanisms, including those Ortigoso et al. have not clarified. 相似文献
188.
We present a four-state model for calculating the two-photon absorption of multi-branched molecules by using the time-depended function method, The numerical results indicate that the two-photon absorption cross section has a strong enhancement for three-branch molecules compared to two-branch structures, The maximal two-photon-absorption cross section is 2.358 × 10^-47 cm^4s/photon, At the same time, the charge-transfer process for the charge-transfer states is visualized in order to explain mechanism about the maximal TPA cross section. 相似文献
189.
Effects of relative orientation of the molecules on electron transport in molecular devices are studied by the non-equilibrium Green function method based on density functional theory. In particular, two molecular devices with planar Au7 and Ag3 clusters sandwiched between the Al(100) electrodes axe studied. In each device, two typical configurations with the clusters parallel and vertical to the electrodes are considered. It is found that the relative orientation affects the transport properties of these two devices completely differently. In the Al(100)- Au7-Al(100) device, the conductance and the current of the parallel configuration are much larger than those in the vertical configuration, while in the Al(100)-Ag3-Al(100) device, an opposite conclusion is obtained. 相似文献
190.