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1.
本文采用基于第一性原理的密度泛函理论(DFT)平面波超软赝势方法,计算了未掺杂ZnO和K,K-2N掺杂ZnO体系的晶体结构、能带、电子态密度与光学性质。研究表明:K掺杂ZnO体系,带隙变宽,在费米能级附近引入了较浅的受主能级,费米能级进入到价带中。而K-2N共掺杂体系中,带隙变窄,形成了浅受主能级,这个对改善ZnO的p型掺杂有重要意义。另一方面,掺杂后ZnO的光学性质也发生了一定变化,ZnO吸收谱中出现了新的吸收峰,同时介电函数虚部都出现了新的波峰,静态介电常数 也都增大了。  相似文献   

2.
陈立晶  李维学  戴剑锋  王青 《物理学报》2014,63(19):196101-196101
基于密度泛函理论的第一性原理平面波超软赝势法对ZnO(Mn,N)体系的晶格结构、形成能、态密度以及电荷密度进行了计算和理论研究.研究结果表明,Mn和N共掺杂ZnO体系具有更低的杂质形成能和更高的化学稳定性,更加适合p型掺杂.Mn和N以1:2的比例掺杂时,体系的形成能降低,体系更稳定;同时,体系中形成双受主能级缺陷,使得杂质固溶度增大,体系中载流子数增多,p型化特征更明显.此外,研究发现相比于N单掺杂ZnO体系,Mn和N原子共掺杂ZnO体系有更多的杂质态密度穿越费米能级,在导带与价带之间形成更宽的受主N 2p的杂质态,同时空穴有效质量变小.与Mn-N共掺杂体系相比,Mn-2N共掺杂体系的受主杂质在费米能级附近的态密度更加弥散,非局域化特征明显.因此,Mn-N共掺杂有望成为p型掺杂的更有效的手段.  相似文献   

3.
姚光锐  范广涵  郑树文  马佳洪  陈峻  章勇  李述体  宿世臣  张涛 《物理学报》2012,61(17):176105-176105
采用基于密度泛函理论的第一性原理赝势法对Te-N共掺杂ZnO体系的晶格结构、 杂质态密度和电子结构进行了理论分析.研究表明, N掺杂引起晶格收缩,而Te的掺入引起晶格膨胀, 从而减小晶格应力促进N的掺杂,并且Te由于电负性小于O而带正电, Te在ZnO中作为等电子施主而存在.研究发现, N掺杂体系中在费米能级附件形成窄的深受主能级, 而Te-N共掺体系中, N杂质带变宽,空穴更加离域,同时,空穴有效质量变小,受主能级变浅, 更有利于实现p型特性.因此, Te-N共掺有望成为一种更为有效的p型掺杂手段.  相似文献   

4.
In-N共掺杂ZnO第一性原理计算   总被引:3,自引:1,他引:2       下载免费PDF全文
陈琨  范广涵  章勇  丁少锋 《物理学报》2008,57(5):3138-3147
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纤锌矿ZnO,N掺杂和In-N共掺杂ZnO晶体的电子结构,分析了N掺杂和In-N共掺杂ZnO晶体的能带结构、电子态密度、差分电荷分布以及H原子对In-N共掺杂ZnO的影响.计算结果表明:N掺杂ZnO在能隙中引入了深受主能级,载流子(空穴)局域于价带顶附近.而加入激活施主In的In-N共掺杂ZnO,受主能级向低能方向移动,形成了浅受主能级.同时,受主能级带变宽、非局域化特征明显、提高了掺杂浓度和系统的稳定性.文章的结论与实验结果相符,从而为实 关键词: 密度泛函理论(DFT) 第一性原理 N掺杂ZnO In-N共掺杂ZnO  相似文献   

5.
Al-N共掺杂ZnO电子结构和光学性质   总被引:2,自引:1,他引:1  
基于密度泛函理论的第一性原理,分析了Al-N共掺杂ZnO的电子结构和光学性质。计算了Al-N复合体共掺ZnO的结合能,发现Al-N复合体可以在ZnO中稳定存在,因此Al-N共掺可以提高N在ZnO的固溶度。研究表明:N掺杂ZnO体系,由于N-2p和Zn-3d态电子轨道杂化作用,在费米能级附近引入深受主能级,价带顶和导带底发生位移,导致禁带宽带变窄。而Al-N共掺杂体系,适当控制Al和N的比例,克服了N单掺杂时受主间的相互排斥,降低了受主能级,对改善ZnO的p型掺杂有重要意义。在Al-N共掺ZnO中,Al的引入,导致共掺体系的禁带宽度减小,吸收带边红移,实验现象证实了这一结果。  相似文献   

6.
采用基于密度泛函理论的总体能量平面波超软赝势方法,对贵金属(Cu、Ag、Au)掺杂ZnO进行了几何结构优化,并计算了相应的能带结构、受主能级、形成能、电子态密度和光学性质. 结果表明:贵金属掺杂后带隙增加且体系费米能级附近电子态密度主要来源于Cu3d、Ag4d和Au5d态电子的贡献. 与未掺杂ZnO相比,介电函数虚部、反射峰强度和吸收系数在可见光和紫外区域增强. 能量损失谱计算表明,贵金属(Cu、Ag、Au)掺杂后ZnO的等离子体共振频率峰发生蓝移.  相似文献   

7.
陈庆玲  戴振宏  刘兆庆  安玉凤  刘悦林 《物理学报》2016,65(13):136101-136101
采用基于密度泛函理论的第一性原理计算方法研究了双层h-BN/Graphene的稳定性及其掺杂特性.研究发现,双层h-BN/Graphene能带结构在K点处有一个小的带隙,在费米能处有类Graphene的线性色散关系.通过施加应变和掺杂来调节带隙,发现掺杂后费米能级附近引入的新能级,主要是N原子的贡献,掺杂后的Na原子和N,C之间存在电荷转移,材料转变为金属性.电荷的转移、载流子密度的增加,在电子元器件中有重要的应用前景.  相似文献   

8.
稀土元素(Y,La)掺杂ZnO的电子结构和光学性质   总被引:1,自引:0,他引:1       下载免费PDF全文
吴玉喜  胡智向  顾书林  渠立成  李腾  张昊 《物理学报》2011,60(1):17101-017101
采用基于密度泛函理论的第一性原理平面波超软赝势方法,计算了未掺杂ZnO和稀土(Y,La)掺杂ZnO体系的空间结构、能带、电子态密度与光学性质.结果表明,掺杂后体系的形成能减小,稳定性变强,带隙展宽,费米能级进入导带中,体系呈金属性,载流子发生简并,形成简并半导体.定性分析了掺杂后光学性质的变化. 关键词: 氧化锌 掺杂 第一性原理  相似文献   

9.
胡小颖  田宏伟  宋立军  朱品文  乔靓 《物理学报》2012,61(4):47102-047102
利用密度泛函理论, 计算了本征ZnO, Li-N共掺杂ZnO及Li-2N共掺杂ZnO的电子结构. 计算结果表明, Li-N及Li-2N共掺杂ZnO体系的Fermi能级均不同程度地进入价带顶, 并在Fermi能级附近形成浅的受主能级, 这说明, Li, N原子共掺杂可获得稳定的p型ZnO;与Li-N掺杂ZnO体系相比, Li-2N掺杂ZnO体系进一步提高了体系的载流子浓度, 更有利于获得p型ZnO.  相似文献   

10.
为了解释Ca掺杂与Mg掺杂在影响锂离子二次电池正极材料LiCoO2体系电子输运性质方面的不同效应,采用基于密度泛函理论的第一性原理方法研究了该体系的电子结构.计算结果表明,虽然在LiCoO2体系中用Ca或Mg替代Co都会在费米能级附近产生部分占据的受主带,但两者对应的电子态都具有明显的局域化特征;此外,与Mg掺杂体系明显不同的是,Ca掺杂体系的受主带与价带之间存在清晰的带隙.这一带隙的存在正是Ca掺杂不能明显提高LiCoO2体系电导率的主要原因.此外,Ca2+与Mg2+离子半径的较大差别也是造成这两个掺杂体系的电导率存在明显差异的一个重要因素.  相似文献   

11.
Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs.  相似文献   

12.
A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output.  相似文献   

13.
The Shanghai Synchrotron Radiation Facility(SSRF)booster ring,a full energy injector for the storage ring,is deigned to accelerate the electron beam energy from 150MeV to 3.5GeV that demands high extraction efficiency at the extraction energy with low beam loss rate when electrons are ramping.Closed orbit distortion(COD)caused by bending magnet field uniformity errors which affects the machine performance harmfully could be effectively reduced by bending magnet location sorting.Considering the affections of random errors in measurement,both ideal sorting and realistic sorting are studied based on measured bending magnet field uniformity errors and one reasonable combination of bending magnets which can reduce the horizontal COD by a factor of 5is given as the final installation sequence of the booster bending magnets in this paper.  相似文献   

14.
15.
A review of schemes for multiple access in fiber optic networks shows that a hybrid of wavelength and code division multiple access (WCDMA) combines the best features of both. In particular, the hybrid scheme retains the large information carrying capacity of wavelength division multiple access (WDMA) and flexibility of code division multiple access (CDMA). In this paper WDMA, optical CDMA (OCDMA), and WCDMA networks are discussed. In OCDMA networks, concept of incoherent and coherent coding including inverse decoding and matched filter is introduced. The delay performance of both WDMA and WCDMA networks, under the simple suboptimum access protocols based on cyclic search, is computed. It has been shown quantitatively that tuning delay significantly affects the delay performance of both WDMA and WCDMA networks. Futhermore, delay performance of WCDMA networks is always better than the WDMA networks for the same tuning delay, load, and number of users.  相似文献   

16.
Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation (5.5·104 Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure crystals is analyzed (preliminarily). Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997.  相似文献   

17.
A transient suppression method for piezoelectric ceramic transducer is presented. By adding some special pedestal pulses to the original transmitted signal, the transient effects in the output of the transducer can be just precisely transmission by use of a narrowband transducer. canceled, thereby achieving the broadband The experimental results show that the transient responses of the sinusoid pulses and coded signals are suppressed successfully and the acoustic waveforms radiated into the surrounding water are improved significantly.  相似文献   

18.
We experimentally demonstrate amplitude squeezed soliton utilizing intensity-dependent self-phase modulation in an asymmetric Sagnac interferometer.The system.whose components are connected via ferrule connector/physical connection(FC/PC)fiber connectors,constitutes all-fiber configuration to generate squeezed soliton.Soliton amplitude reduction measured by homodyne detection is near 4.0 dB below the shot-noise level.Optimal squeezing fields in both simple and compact all-fiber configuration are obtained.  相似文献   

19.
The(2 1)-dimensional nonlinear Schr(o)dinger(NLS)equation with spatially inhomogeneous nonlinearities is investigated,which describes propagation of light in(2 1)-dimensional nonlinear optical media with inhomogeneous nonlinearities.New types of optical modes and nonlinear effects in optical media are presented numerically.The results reveal that the regular split of beam can be obtained in (2 1)-dimensional nonlinear optical media with inhomogeneous nonlinearities,by adjusting the guiding parameter.Furthermore,the stability of beam regular split is discussed numerically,and the results reveal that the beam regular split is stable to the finite initial perturbations.  相似文献   

20.
In the real-world application of face recognition system, owing to the difficulties of collecting samples or storage space of systems, only one sample image per person is stored in the system, which is so-called one sample per person problem. Moreover, pose and illumination have impact on recognition performance. We propose a novel pose and illumination robust algorithm for face recognition with a single training image per person to solve the above limitations. Experimental results show that the proposed algorithm is an efficient and practical approach for face recognition.  相似文献   

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