N-S共掺杂金红石相TiO2电子结构与光学性质的第一性原理研究

采用基于第一性原理的平面波超软赝势方法研究N和S单掺杂以及N和S共掺杂金红石相TiO2的能带结构,态密度和光学性质.结果表明:N掺杂导致禁带宽度减小为1.43 eV,并且在价带上方形成了一条杂质能带;S掺杂导致费米能级上移靠近导带,直接带隙减小为0.32 eV;N和S共掺杂导致能带结构中出现了两条杂质能带,靠近导带的一条杂质能级距离导带底约0.35 eV,靠近价带的一条杂质能级距离价带顶约0.85 eV,杂质能级主要由N原子的2p轨道和S原子的3p轨道组成.N和S掺杂后不但使TiO2的吸收带产生红移,而且在可见光区具有较大的吸收系数,光催化活性增强.     

Co-Cr共掺杂金红石型TiO_2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,采用第一性原理赝势平面波方法计算了Co、Cr单掺杂以及Co-Cr共掺杂金红石型TiO2的能带结构、态密度和光学性质.计算结果表明:纯金红石的禁带宽度为3.0eV,Co掺杂金红石型TiO2的带隙为1.21eV,导带顶和价带底都位于G点处,仍为直接带隙,在价带与导带之间出现了由Co 3d和Ti 3d轨道杂化形成的杂质能级;Cr掺杂金红石型TiO2的直接带隙为0.85eV,在价带与导带之间的杂质能级由Cr 3d和Ti 3d轨道杂化轨道构成,导带和价带都向低能级方向移动;Co-Cr共掺杂,由于电子的强烈杂化,使O-2p态和Ti-3d态向Co-3d和Cr-3d态移动,使价带顶能级向高能级移动而导带底能级向低能方向移动,极大地减小了禁带的宽度,也是共掺杂改性的离子选择依据.掺杂金红石型TiO2的介电峰、折射率和吸收系数峰都向低能方向移动;在E2.029eV的范围内,纯金红石的ε2、k和吸收系数为零,掺杂后的跃迁强度都大于未掺杂时的跃迁强度,Co-Cr共掺杂的跃迁强度大于Co掺杂及Cr掺杂,说明Co、Cr共掺杂更能增强电子在低能端的光学跃迁,具有更佳的可见光催化性能.     

Ce掺杂6H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及Ce掺杂6H-SiC的电子结构和光学性质进行理论计算.计算结果表明,未掺杂6H-SiC是间接带隙半导体,其禁带宽度为2.045 eV,掺杂Ce元素,带隙宽度下降为0.812 eV.未掺杂6H-SiC在价带的低能区,Si-3s、C-2s电子轨道对态密度的贡献较大,在价带的高能区,主要是由Si-3p、Si-3s、C-2p态组成.掺杂后Ce原子的4f轨道主要贡献在导带部分,掺杂后电导率提高.未掺杂时,只有一个介电峰,是价带电子跃迁到导带电子所致,掺杂后有两个介电峰,第一个介电峰是由于导带电子跃迁到Ce原子4f轨道上产生,第二个峰是价带电子向导带电子跃迁产生.未掺杂6H-SiC,在能量为10.31 eV处吸收系数达到最大值,掺杂后在能量为6.57 eV处,吸收系数达到最大值.     

Ce掺杂6H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及Ce掺杂6H-SiC的电子结构和光学性质进行理论计算.计算结果表明,未掺杂6H-SiC是间接带隙半导体,其禁带宽度为2.045 eV,掺杂Ce元素,带隙宽度下降为0.812 eV.未掺杂6H-SiC在价带的低能区,Si-3s、C-2s电子轨道对态密度的贡献较大,在价带的高能区,主要是由Si-3p、Si-3s、C-2p态组成.掺杂后Ce原子的4f轨道主要贡献在导带部分,掺杂后电导率提高.未掺杂时,只有一个介电峰,是价带电子跃迁到导带电子所致,掺杂后有两个介电峰,第一个介电峰是由于导带电子跃迁到Ce原子4f轨道上产生,第二个峰是价带电子向导带电子跃迁产生.未掺杂6H-SiC,在能量为10.31 eV处吸收系数达到最大值,掺杂后在能量为6.57 eV处,吸收系数达到最大值.     

La掺杂6H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及La掺杂6H-SiC的电子结构和光学性质进行理论计算.计算结果表明,未掺杂6H-SiC是间接带隙半导体,其禁带宽度为2.045 eV,掺杂La元素,形成P型间接半导体,带隙宽度下降为0.886 eV.未掺杂6H-SiC在价带的低能区,Si-3s、C-2s电子轨道对态密度的贡献较大,在价带的高能区,主要是由Si-3p、Si-3s、C-2p态组成.掺杂后La的5d轨道与6H-SiC的sp~3轨道杂化主要贡献在价带部分,而对导带的贡献相对较小,掺杂后电导率提高.未掺杂时,只有一个介电峰,是价带电子跃迁到导带电子所致,掺杂后有两个介电峰,其中第一个介电峰是由sp~3杂化轨道上的电子跃迁到La原子5d轨道上产生.未掺杂6H-SiC,在能量为10.31处吸收系数达到最大值,掺杂后在能量为7.35 eV处,吸收系数达到最大值.     

Ga掺杂ZnO的电子结构与电性能的研究

采用密度泛函理论广义梯度近似第一性原理计算的方法研究了n型Ga掺杂的纤锌矿结构氧化物ZnO的晶格结构、能带结构和态密度,在此基础上分析了其电性能.计算结果表明,掺杂ZnO氧化物晶格a,b轴增大,c轴略有减小;Ga掺杂ZnO氧化物两能带之间具有0.6eV的直接带隙,需要载流子(电子)跃迁的能隙宽度较未掺杂的ZnO氧化物减小;掺杂体系费米能级附近的态密度大大提高,其能带主要由Gas态、Zns态和Os态电子构成,且他们之间存在着强相互作用,其中Gas态电子对导带贡献最大.电输运性能分析结果表明,Ga掺杂ZnO氧化物导电机构由Znp-Op电子在价带与导带的跃迁转变为Gas-Znd-Os电子在价带与导带的跃迁,这也表明Gas态电子在导电过程中的重要作用;掺杂体系费米能级附近的载流子有效质量较未掺杂体系增大,且价带中的载流子有效质量较大,导带中的载流子有效质量较小.     

La单掺4H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法，对未掺杂及La掺杂4H-SiC的电子结构和光学性质进行理论计算。计算结果表明，未掺杂4C-SiC其禁带宽度为2.257 eV。La掺杂后带隙宽度下降为1.1143eV，导带最低点为G点，价带最高点为F点，是P型间接半导体。掺杂La原子在价带的低能区间贡献比较大，而对价带的高能区和导带的贡献比较小。未掺杂4H-SiC在光子能量为6.25 eV时，出现一个介电峰，这是由于价带电子向导带电子跃迁产生。而La掺杂后，出现3个介电峰，分别对应的光子能量为0.47eV、2.67eV、6.21eV，前两个介电峰是由于价带电子向杂质能级跃迁产生，第三个介电峰是由于价带电子向导带电子跃迁产生。La掺杂后4H-SiC变成负介电半导体材料。未掺杂4h-SiC的静态介电常数为2.01，La掺杂的静态常数为12.01。     

过渡金属W、Mn、V、Ti掺杂二维材料MoSi2N4的第一性原理计算

本文基于密度泛函理论(DFT)的第一性原理计算了W、Mn、V、Ti替位掺杂二维MoSi₂N₄后的几何结构、电子结构以及光学性质的变化.电子结构分析表明W、Mn、W、Ti替位掺杂二维MoSi₂N₄后的禁带宽度分别为1.806 e V、1.003 e V、1.218 e V和1.373 e V;四种过渡金属掺杂后MoSi₂N₄的带隙类型没有发生改变，均为间接带隙半导体;W掺杂后的杂质能级靠近价带顶，费米能级靠近价带顶，为p型半导体，杂质能级为受主能级;Mn掺杂后的杂质能级靠近导带底，费米能级靠近导带底，为n型半导体;V和Ti掺杂后杂质能级位于费米能级附近，为复合中心;光学性质分析表明，在2 e V～4 e V的能量区间内，W掺杂结构的吸收波长为336 nm，体系发生红移;Mn、V和Ti替位掺杂后的吸收波长分别为320 nm、358 nm和338 nm，且掺杂体系均发生蓝移.     

Te掺杂单层MoS2的电子结构与光电性质

采用基于密度泛函理论的第一性原理计算,研究了Te掺杂对单层MoS₂能带结构、电子态密度和光电性质的影响。结果表明,本征单层MoS₂属于直接带隙半导体材料,其禁带宽度为1.64 eV。本征单层MoS₂的价带顶主要由S-3p态电子和Mo-4d态电子构成,而其导带底则主要由Mo-4d态电子和S-3p态电子共同决定;Te掺杂单层MoS₂为间接带隙半导体材料,其禁带宽度为1.47 eV。同时通过Te掺杂,使单层MoS₂的静态介电常数增大,禁带宽度变窄,吸收光谱产生红移,研究结果为单层MoS₂在光电器件方面的应用提供了理论基础。     

N掺杂Cu2O薄膜的光学性质及第一性原理分析

采用射频磁控溅射技术, 在不同温度下制备了N掺杂Cu₂O薄膜．透射光谱分析发现, N掺杂导致Cu₂O成为允许的带隙直接跃迁半导体, 并使Cu₂O的光学禁带宽度增加．不同温度下沉积的薄膜光学禁带宽度E_g=2.52± 0.03 eV．第一性原理计算表明, N掺杂导致Cu₂O的禁带宽度增加了约25%, 主要与价带顶下移和导带底上移有关, 与实验报道基本符合．N的2p电子态分布不同于O原子, 在价带顶附近具有较大的态密度是N掺杂Cu₂O变成允许的带隙直接跃迁半导体的根本原因．     

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.