石墨烯条带的电子结构与性质:电场及长度效应

在密度泛函理论(DFT)和含时密度泛函理论(TDDFT)的基础上对宽度上含有8个zigzag链的石墨烯条带(8-ZGNR)的基态和激发态的性质进行了理论研究,着重考察了条带长度及电场的影响.B3LYP杂化泛函的计算结果显示:在基态上,8-ZGNR的最低能量态并不具有磁性,随着长度的增加,才会显示出反铁磁的性质.静电场的加入使8-ZGNR显示出反铁磁性和半金属性.在激发态上,诱导电子会随着外激光脉冲的变化而发生移动和变化,但是相比而言,α自旋电子更容易被激发而产生较明显的诱导电子密度,而β自旋电子则更容易脱离外激光场的控制而产生非绝热现象.     

Catalytic Effect of Electric Fields on the Kemp Elimination Reactions with Neutral Bases

The effect of solvent reaction fields and oriented electric fields on the Kemp elimination reaction between methylamine or imidazole and 5-nitrobenzisoxazole has been theoretically studied. The Kemp reaction is the most widely used for the design of new enzymes. Our results, using the SMD continuous model for solvents, are in quite good agreement with the experimental fact that the rate of the analogous reaction with butylamine is one order of magnitude smaller in water than in acetonitrile. In the case of external electric fields, our results show that they can increase or decrease the energy barrier depending on the magnitude and orientation of the field. A duly oriented electric field may have a notable catalytic effect on the reaction. So, external electric fields and reaction fields due to the medium can contribute to the design of new enzymes. Several factors that must be taken into account to increase the catalytic effect are discussed.     

External Homogenization for Hopf Algebras: Applications to Maschke's Theorem

We apply to Hopf algebras a construction from graded rings, called the group ring of a graded ring. By using this construction we study the transfer of properties between certain categories of relative Hopf modules. As another application, we obtain a Maschke-type theorem for a Galois extension over a semisimple Hopf algebra.     

Plane Waves Propagating in Gases Composed of Composite Particles

The quantum discrete kinetic equations are solved to study the propagation of plane waves in a system of composite particles with hard-sphere interactions and the filling factor (ν) being 1/2. We compare the dispersion relations thus obtained by the relevant Pauli-blocking parameter B which describes the different-statistics particles for the quantum analog of the discrete Boltzmann system when B is positive (Bose gases), zero (Boltzmann gases), and negative (Fermi Gases). We found, as the effective magnetic field being zero (ν = 1/2 using the composite fermion formulation), the electric field effect will induce anomalous dispersion relations.     

改善高功率激光二极管阵列光束质量的一种新方法

根据波导模理论，推导了高功率激光二极管阵列的远场分布，根据其分布特点，设计了一种离轴外腔.运用这种外腔，在工作电流为17A时，光束的束宽积从自由运转时的1100mm·mrad减小到128mm·mrad，二极管阵列的光束质量提高了8.5倍左右，输出功率约为自由运转时的75%.     

光纤光栅对FBG-ECL静态特性的影响

光纤光栅外腔半导体激光器(FBG-ECL)在未来光通信系统占有着越来越重要的地位。根据FBG-ECL的等效腔模型,讨论了光纤光栅反射率、带宽对FBG-ECL的输出功率,阈值特性、边模抑制比等静态特性的影响。指出了存在最佳光纤光栅峰值反射率,不仅使得FBG-ECL具有更高的输出功率,而且可以获得极好的边模抑制比。最后根据实测在不同反射率下外腔激光器的激射光谱,发现理论分析结果和实验数据是吻合的。     

利用射线追踪法研究超短外腔半导体激光器的输出特性

基于射线追踪法，推导了外腔半导体激光器的连续输出谱的隐函表达式.在此基础上，结合载流子速率方程，对超短外腔半导体激光器的输出谱及P-I特性进行了研究.结果表明：当外腔长度发生波长量级的变化时，超短外腔激光器的P-I特性将发生显著变化；随着外腔长度的变化，超短外腔激光器的激射波长在10nm范围内呈周期性跳变，当外腔长度介于40μm—70μm范围内，激射波长跳变范围最大.理论模拟结果与实验报道结果符合.     

A simple method to construct soliton-like solution of the general KdV equation with external force

A simple and direct method is described to construct the soliton-like solution for the general KdV equation with external force. Crucial to the method is the assumption that the solution chosen is a special truncated expansion.