共轭低聚物中光生分子间电荷转移态的第一性原理研究（英文）

本文基于第一性原理中的Heyd-Scuseria-Ernzerh方法研究了单层In_(1-x)Ga_xN的电子结构和光学性质.计算得到单层In_(1-x)Ga_xN的能带结构和态密度(DOS),发现随着掺杂比例的变化,体系带隙的变化范围是1.8～3.8 eV,表明通过Ga的掺杂可以实现体系带隙值的调节.并且还研究了单层In_(1-x)Ga_xN的介电函数,折射率和吸收系数等光学性质,结果表明随着Ga掺杂浓度的增加,介电函数谱的主峰和吸收谱发生了显著的蓝移.此外,基于能带结构和态密度图谱,对单层In_(1-x)Ga_xN的光学性质进行分析,预测这种材料独特的光学性质在纳米电子学和光学器件中会有广泛的应用.     

C-Mg掺杂GaN电子结构和光学性质的第一性原理研究

基于密度泛函理论第一性原理的方法,计算了GaN、C单掺、Mg单掺和C-Mg共掺体系的电子结构和光学性质,计算结果表明:掺杂后,GaN体系的晶格发生畸变,有利于光生空穴-电子对的分离,C-Mg共掺体系结构最稳定,掺杂体系的禁带宽度均减小,其中C-Mg共掺体系的禁带宽度最小,在禁带中引入了杂质能级,说明掺杂可有效降低电子跃迁所需的能量.在光学性质方面,掺杂后,GaN在低能区介电峰和吸收峰均发生红移,且静介电常数增大;其中C-Mg共掺体系的对可见光的吸收最强,极化能力最强,因此C-Mg共掺将有望提高GaN在光催化性能和极化能力.     

In掺杂ZnO超晶格光学性质的研究

采用基于第一性原理的线性缀加平面波方法, 计算了超晶格ZnO掺In的光学性质. 计算结果表明, 掺入In元素后Fermi能级进入导带, 介电函数、吸收系数、折射率、反射率都在Fermi面附近产生新的跃迁峰. 随着掺杂层数的增多, 跃迁峰发生红移, 当掺杂两层In时跃迁峰峰值最大, 同时吸收系数的吸收边随掺杂层数的增多而逐渐减小. 与In掺杂ZnO超晶胞相比, ZnO超晶格在可见光范围内具有高透过率的特点.     

Fe和Ni共掺杂ZnO的电子结构和光学性质

基于密度泛函理论的第一性原理研究Fe,Ni单掺杂和(Fe,Ni)共掺杂纤锌矿型ZnO的能带结构、电子态密度分布、介电函数、光学吸收系数,分析了掺杂后电子结构与光学性质的变化.计算结果表明：掺杂体系的费米能级附近电子态密度主要来源于Fe 3d,Ni 3d态电子的贡献;与纯净ZnO相比,Fe,Ni单掺杂和(Fe,Ni)共掺杂ZnO的介电函数虚部均在0.46eV左右出现了一个新峰;Fe,Ni单掺杂和共掺杂ZnO的吸收光谱均发生明显的红移,并都在1.3eV处出现较强吸收峰.结合他人的计算和实验结果,给出了定性的讨 关键词： 氧化锌 掺杂 第一性原理 光学性质     

Mn、Fe掺杂ZnS的第一性原理计算

采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势方法,计算了闪锌矿结构的纯净ZnS、Mn掺杂ZnS和Fe掺杂ZnS的电子结构和光学性质,分析了掺杂对ZnS晶体的能带结构、电子态密度、光学吸收系数的影响。计算结果表明:掺杂体系费米能级附近的电子态密度主要来源于Mn 3d,Fe 3d态电子的贡献;Mn、Fe掺杂情况下的光吸收谱均向低能级方向移动且在低能端形成新的吸收峰,红移效应明显。     

InGaN/GaN多量子阱热退火的拉曼光谱和荧光光谱

通过拉曼光谱及荧光光谱测量研究了采用低压金属有机化学沉积(MOCVD)方法生长的InGaN／GaN多量子阱高温快速热退火处理对量子阱光学性质的影响。观测到退火后InGaN／GaN量子阱的拉曼光谱E2,A1(LO)模式的峰位置出现了红移,而且该振动峰的半高宽也有微小变化。温度升高退火效果更明显。退火使量子阱内应力部分消除,同时In,Ga原子扩散出现相分离使拉曼谱表现出变化。在常温和低温下的光荧光谱表明,退火处理的量子阱发光主峰都出现了红移;而且低温退火出现红移,退火温度升高相对低温退火出现蓝移;同时在低温荧光光谱里看到经过退火处理后原发光峰中主峰旁边弱的峰消失了。讨论了退火对多量子阱光学性质的影响。     

稀土元素(Ce,Pr)掺杂GaN的电子结构和光学性质的理论研究

采用基于密度泛函理论的第一性原理平面波赝势法计算了稀土元素Ce,Pr掺杂GaN的晶格参数、能带、电子态密度和光学性质,使用LSDA +U的方法处理具有强关联作用的稀土4f态,并分析比较计算结果.计算表明:掺入Ce和Pr后的体系相比未掺杂的GaN晶格常数增大,带隙变窄,并分别在禁带中和价带顶附近引入了局域的杂质能级,该能级主要由Ce和Pr的4f电子提供;掺杂后都发生了磁有序化并产生磁矩;最后定性分析了掺杂前后介电函数和光吸收系数的变化,掺Ce的体系在介电函数和吸收系数的低能区出现了峰值,该峰的出现和禁带中的杂质能级到导带底的跃迁有关,而掺Pr的体系由于带隙变窄使介电峰和吸收边发生红移.     

B,P掺杂β-Si3N4的电子结构和光学性质研究

运用第一性原理方法, 计算了B, P两种元素单掺杂和共掺杂的β -Si₃N₄材料的电子结构和光学性质. 结果表明: B掺杂体系的稳定性更高, 而P掺杂体系的离子性更强; 单掺和共掺杂均窄化带隙, 且共掺在禁带中引入深能级, 使局域态增强; 单掺杂体系介电函数虚部、吸收谱和能量损失谱各峰均发生红移、幅值减小, 而共掺后介电函数虚部主峰出现蓝移、能量损失峰展宽、高能区电子跃迁大大增强, 且控制共掺杂的B, P比例可获得较低的带电缺陷浓度.     

Ti和Al共掺杂ZnS的电子结构和光学性质

基于密度泛函理论的第一性原理研究Ti和Al单掺杂和(Ti,Al)共掺杂ZnS的能带结构、电子态密度分布、介电函数、光学吸收系数,分析了掺杂后电子结构与光学性质的变化.计算结果表明:掺杂后禁带中引入了新的杂质能级,费米能级进入导带.掺杂改变了ZnS晶体的导电特性,使它表现出金属特性,导电性能增强;与纯净ZnS相比,Ti单掺杂和(Ti,Al)共掺杂ZnS的吸收边均出现明显的红移,且在1.79eV左右出现了一个新峰;而Al单掺杂ZnS的吸收边则发生明显的蓝移,且不产生新的吸收峰.     

Al掺杂Mg_2Ge光电性质的第一性原理计算

应用密度泛函理论框架下的第一性原理超软赝势平面波方法系统地计算了不同Al掺杂浓度下Mg_2Ge的电子结构及光学性质.建立了四种Mg_(2-x)Al_xGe(x=0,0.125,0.25,0.5)的掺杂模型,计算结果表示Al掺杂后的Mg_2Ge,费米能级进入导带,呈现出n型导电特性,掺杂后本征Mg_2Ge费米能级附近的导带架构发生了改变,变为主要由Al的3p态电子、Ge的4s态电子和Mg的3s、3p态电子组成;静介电常数ε_1(0)和折射率n_0均增大;吸收光谱发生红移,吸收系数最大值略微减小;光电导率峰值在x=0.125时取得极大值;能量损失函数发生蓝移且x=0.125时蓝移现象最为明显.     

Theoretical analysis and simulation of conjugate heights for dual-conjugate AO system in lidar

A multi-conjugate adaptive optics （MCAO） can offer a possibility of widening field of view （FOV） characterized by the isoplanatic angle, and the choose of conjugate height becomes a basic problem for MCAO, which influences the size of iosplanatic angle. Considering the application of lidar, the isoplanatic angle＇s expressions of two deformable mirrors （DMs） MCAO for uplink and downlink are deduced. The effects of conjugate heights for dual-conjugate AO are thoughtfully discussed, and the isoplanatic angles are further analyzed. The results show that the isopanatic angle varies with the conjugate height and reaches the maximum as the conjugate height is at the optimal altitude. Moreover, the optimal conjugate height changes with the propagation distance.     

Quick single-photon detector with many avalanche photo diodes working on the time division

Due to the limit of response speed of the present single-photon detector, the code rate is still too low to come into practical use for the present quantum key distribution (QKD) system.A new idea is put up to design a quick single-photon detector.This quick single-photon detector is composed of a multi-port optic-fiber splitter and many avalanche photo diodes (APDs).Au of the ports with APDs work on the time division and cooperate with a logic discriminating and deciding unit driven by the clock signal.The operation frequency lies on the number N of ports, and can reach N times of the conventional single-photon detector.The single-photon prompt detection can come true for high repetition-rate pulses.The applying of this detector will largely raise the code rate of the QKD, and boost the commercial use.     

Characterization of PolyA and PolyC mismatches by Raman spectroscopy

A.C mismatches are studied by Raman spectral characterization of PolyA, PolyC, and their equimolar complex in solution of 0.14 mol/L Na ,pH7.0.Experimental results show that A·C mismatches occur to be A/B (mainly A) conformers, and unlike Watson-Crick base pairing, this kind of mismatches is stabilized by only one hydrogen bond involving cytosine N4H2 and adenine N7.The formation of A·C complex makes the base stacking interactions much stronger, and conformation of the backbone more ordered, which leads to obvious Raman hypochromic effect with some shifts in corresponding bands.     

Improvement of four-wave mixing-based wavelength conversion efficiency in dispersion shifted fiber by 40-GHz clock pumping

40-GHz clock modulated signal as a pump to improve the efficiency of four-wave mixing (FWM)-based wavelength conversion in a 26.5-km dispersion shifted fiber (DSF) is investigated. The experimental results demonstrate that the conjugated FWM component has higher intensity with the clock pumping than that with the continuous-wave (CW) light pumping. The improvement of FWM-based wavelength conversion efficiency is negligible when the pump power is less than Brillouin threshold. But when the pump power is greater than Brillouin threshold, the improvement becomes significant and increases with the increment of pump power. The improvement can increase up to 9 dB if pump power reaches 17 dBm.     

Multi-pulse operation of a Kerr-lens mode-locked femtosecond laser

Our experimental results show that the presence of a proper amount of negative group velocity dispersion is essential to multi-pulse operation of a Kerr-lens mode-locked femtosecond laser. We demonstrate that the pulse separations and the number of pulses contained within a cavity round trip are strongly dependent on the initial perturbations. The results allow us to get a better understanding on the influences of the convoluted self-phase modulation and intra-cavity dispersions on the stable multi-pulse oscillation in a Kerr-lens mode-locked femtosecond laser.     

Propagation of Helmholtz-Gauss beams in weak turbulent atmosphere

Based on the Rytov approximation of light propagation in weak turbulent atmosphere,the closed-form expressions of field and average irradiance of each one of the four fundamental families of Helmholtz-Gauss (HzG)beams:cosine-Gauss beams,stationary Mathieu-Gauss beams,stationary parabolic-Gauss beams,and Bessel-Gauss beams,which are propagating in weak turbulent atmosphere,are obtained.The results show that the field and average irradiance can be written as the product of four factors:complex amplitude depending on the z-coordinate only,a Ganssian beam.a factor of complex phase perturbation induced by atmospheric turbulence,and a complex scaled version of the transverse shape of the non-diffracting beam.The effect of weak atmospheric turbulence on irradiance distribution of the HzG beam can be ignored.     

An effective method for reducing speckle noise in digital holography

An effective method for reducing the speckle noise in digital holography is proposed in this paper.Different from the methods based on classical filtering technique,it utilizes the multiple holograms which are generated by rotating the illuminating light continuously.The intensity images reconstructed by a series of holograms generated by rotating the illuminating light possess different speckle patterns.Hence by properly averaging the reconstructed intensity fields,the speckle noises can be reduced greatly.Experimental results show that the proposed method is simple and effective to reduce speckle noise in digital holography.     

Influence of purity of HfO2 on reflectance of ultraviolet multilayer

The impurities in two kinds of HfO2 materials and in their corresponding single layer thin films were determined through glow discharge mass spectrum technology and secondary ion mass spectrometry(SIMS) equipment respectively.It was found that ZrO2 was the main impurity in the two kinds of HfO2 either in the original HfO2 materials or in the electron beam deposited films.In addition,the difference of Zr content in the two kinds of HfO2 single laver films was much laxger than that of the other impurities such as Ti and Fe.which showed that it was just ZrO2 that made the difference between the optical performance of the film products including the two kinds of HfO2.With these two kinds of HfO2 and the same kind of SiO2.we deposited HfO2/SiO2 multilayer reflective coatings at the wavelength of 266 nm.Experimental results showed that the reflectances of these two mirrors were about 99.85% and 99.15% respectively,which agreed well with the designed results what were based on the optical constants obtained from the corresponding single layer thin films.     

Speech enhancement by array crosstalk resistant ANC and spectrum subtraction

Microphone array-based speech enhancement has great importance for speech communications and speech recognition. To reduce the aperture of the microphone array and to increase the effect of the speech enhancement will greatly broaden the application areas of the microphone array. An array crosstalk resistant adaptive noise cancellation method is therefore presented. And then an improved spectral subtraction algorithm is further cascaded to obtain better enhancement results. Theoretic analysis and experiments indicate that the proposed scheme needs only a very small microphone array while it simultaneously achieves a higher SNR improvement. Besides, the proposed scheme can be used in many noisy environments and is easy for real-time implementation.