SiGe/Si多量子阱中的光致子带间吸收研究

本文论述了硅锗量子阱中的光致子带间吸收的机理,并在实验中探测SiGe/Si量子阱价带间的红外光致吸收.载流子由氩离子激光器作为光泵浦源产生,所导致的红外吸收由一个步进式傅里叶变换光谱仪来探测.在硅锗量子阱中的光致吸收有两个来源:类似单一掺杂的SiGe薄层的体吸收的自由载流子吸收,及量子阱价带的子带间吸收.实验探测了TE和TM偏振方向的吸收.TM偏振方向的吸收是由偏离布里渊带中心的载流子的跃迁所造成的.我们认为这种光致吸收技术在研究价带耦合效应及其对子带间吸收的影响是非常有效的.     

直接带隙Ge耦合双量子阱中的光吸收系数

在有效质量近似下,详细研究了直接带隙Ge/Ge Si耦合双量子阱中带间光跃迁吸收系数和阈值能量随量子阱结构参数的变化情况.结果表明:随着量子阱阱宽增大,带间光跃迁吸收强度会逐渐减弱,阈值能量减小,吸收曲线向低能方向移动,出现了红移现象.增强耦合量子阱间的耦合效应使得带间光吸收强度显著提升.此外,与非对称耦合量子阱相比,耦合效应对对称耦合量子阱中光吸收系数的影响更为显著.     

直接带隙Ge耦合双量子阱中的光吸收系数

在有效质量近似下,详细研究了直接带隙Ge/GeSi耦合双量子阱中带间光跃迁吸收系数和阈值能量随量子阱结构参数的变化情况。结果表明：随着量子阱阱宽增大,带间光跃迁吸收强度会逐渐减弱,阈值能量减小,吸收曲线向低能方向移动,出现了红移现象。增强耦合量子阱间的耦合效应使得带间光吸收强度显著提升。此外,与非对称耦合量子阱相比,耦合效应对对称耦合量子阱中光吸收系数的影响更为显著。     

CdSe/HgSe/CdSe量子点量子阱(QDQW)晶粒的光学性质和电子结构

以CdSe纳米晶体为核,用胶体化学的方法,通过化学替代反应,获得了不同阱层或不同垒层的CdSeHgSeCdSe量子点量子阱(QDQW)晶体.紫外可见光吸收谱研究表明,通过调节QDQW中间HgSe阱层的厚度从0.9nm至0,可以调节QDQW颗粒的带隙从1.8变化至2.1eV,实现QDQW纳米晶体的剪裁.光致荧光(PL)谱研究显示,QDQW形成后,CdSeHgSe纳米颗粒表面态得到钝化,显现出发光强度加强的带边荧光峰.利用有效质量近似模型,对QDQW晶粒内部电子的1s—1s态进行了估算,估算结果总体趋势与实验数据相符 关键词： 量子点量子阱晶体 能带剪裁 加强的带边荧光峰     

外电场对直接带隙Ge量子阱中的光学性质的影响

在有效质量近似下,考虑到外电场的影响,详细研究了直接带隙Ge/GeSi量子阱中带间光跃迁吸收系数和阈值能量随量子阱阱宽,外电场强度的变化情况。结果表明：随着外电场的增强,带间光跃迁吸收强度会逐渐减弱,阈值能量减小,吸收曲线向低能方向移动,出现了红移现象。此外,当量子阱比较大时,外电场对量子阱中带间光跃迁阈值能量的影响更加明显。     

p型GexSi1-x/Si多量子阱的红外吸收及其分析

通过测量GeSi多量子阱的红外谱，同时观察到了相应于量子阱内重空穴基态HH1到重空穴激发态HH1、轻空穴激发态LH1和自旋分裂带SO及连续态间的跃迁吸收．测量了GeSi多量子阱探测器的正入射光电流谱，看到了明显的光响应峰．理论计算中计及了轻、重和自旋分裂带间的耦合及能带的非抛物性，并自洽考虑了哈特里势和交换相关势．与实验结果比较，认为带之间的耦合，使子带间的跃迁情况变得复杂，是正入射吸收产生的原因 关键词：     

分子束外延生长亚稳态ZnCdSe/MgSe低维量子阱结构及其光学性质

采用分子束外延技术在(001)取向的InP衬底上外延生长了亚稳态的ZnxCd1-xSe/MgSe低维量子阱结构,并通过光致发光和子带吸收方法,分析其能带结构。在单量子阱样品制备过程中,高能电子衍射强度振荡表明MgSe可以实现二维生长模式,衍射图样证明其为亚稳态闪锌矿结构。通过引入厚的ZnxCd1-xSe空间层,抑制了MgSe垒层的相变,并能进一步提高样品的结晶质量,得到高结晶质量的多量子阱结构。通过计算不同阱宽的能带与光致发光实验比较,证明了ZnxCd1-xSe/MgSe的导带带阶为1.2 eV,价带带阶为0.27 eV。为了进一步验证其能带结构,制备了电子掺杂的ZnxCd1-xSe/MgSe的多量子阱,观测到半高宽很窄的中红外吸收。利用发光谱确定的带阶计算了量子阱中子带的吸收波长,和实验结果非常吻合。设计了一种双量子阱结构,计算结果显示,通过利用量子阱中的耦合效应,可以实现1.55μm光通信波段的吸收。     

具有新型有源区的量子级联探测器(特邀)

量子级联探测器是一种光伏型的子带间跃迁红外探测器,通过厚度渐变的啁啾量子阱中台阶状的子带分布,产生内建电场,使得有源区中的光生载流子定向输运,器件工作时无需外加偏压,避免了暗电流噪声的产生,能够实现室温长波红外响应。由于子带间跃迁吸收系数小、具有偏振选择性,量子级联探测器目前存在响应率低、对正入射响应无响应、探测率对温度敏感等问题。针对这些问题,本文介绍三种新型量子级联探测器有源区的设计,包括量子点/阱耦合、束缚-微带斜跃迁和小能量台阶有源区,在中波、长波和甚长波波段展现出优良的器件性能。     

垂直电场下扭转双层石墨烯光学吸收性质的理论研究

层间扭转角度是对石墨烯物理性质宽波段可调谐的一个新参量.本文采用2°<θ<15°扭转角度下的连续近似模型,获得了不同扭转角度双层石墨烯分别在有、无电场下的能带结构,通过电子-光子相互作用跃迁速率,计算模拟了范霍夫奇点附近电子带内跃迁和带间跃迁所引起的光学吸收谱.结果表明,在无外加电场时,带间跃迁吸收峰的位置随着扭转角度的增大而发生从红外到可见光波段的蓝移,且吸收系数增大,带内跃迁的光学吸收系数相对于带间跃迁高出2个数量级;而存在外加电场时,两个范霍夫奇点在波矢空间的位置发生偏移,带间跃迁吸收峰发生分裂,且两个分裂的吸收峰位置随着电场强度的不断增大而反向行进.上述研究结果对石墨烯材料在光电器件方面的应用有一定指导作用.     

AlxGa1-xN/GaN双量子阱的结构和掺杂浓度对子带间跃迁波长和吸收系数的影响

用薛定谔方程和泊松方程自洽计算的方法研究了Al_0.75Ga_0.25N/GaN对称双量子阱(DQWs)中子带间跃迁(ISBT)的波长和吸收系数对中间耦合势垒高度、中间耦合势垒宽度、势阱宽度和势垒掺杂浓度的依赖关系.研究发现,第一奇序子带S_1ood与第二偶序子带S_2even ISBT波长随着中间耦合势垒高度的降低而变短.当中间耦合势垒高度高于0.62 eV时,S_{1odd< 关键词： 自洽 x}Ga_1-xN/GaN双量子阱')" href="#">Al_xGa_1-xN/GaN双量子阱 子带间跃迁     

The influence of random edge defects on the electric and optical properties of phosphorene nanoribbons along zigzag direction

Phosphorene nanoribbons are one-dimensional semiconductors with possible edge states falling within its energy bandgap. We build the connection between the possible configurations of edge defects and the corresponding electric and optical properties in practice systems. The influence of the random defects or roughness at the edges of phosphorene nanoribbons cutting along zigzag direction is investigated quantitatively. Theoretical calculations show that the absorption peak due to the transitions involving edge states has an obvious blue shift with the zigzag-type positions at the edges increasing. The absorption thus can be used to estimate the random defects or roughness of the edges of phosphorene nanoribbons.     

第一性原理研究[112]硅锗异质结纳米线的电子结构与光学性质

基于密度泛函理论体系下的广义梯度近似,本文利用第一性原理方法着重研究了[112]晶向硅锗异质结纳米线的电子结构与光学性质.能带结构计算表明:随着锗原子数的增加,[112]晶向硅锗纳米线的带隙逐渐减小;对Si_(36)Ge_(24)H_(32)纳米线施加单轴应变,其能量带隙随拉应变的增加而单调减小.光学性质计算则表明:随着锗原子数的增加,[112]硅锗纳米线介电函数的峰位和吸收谱的吸收边均向低能量区移动;而随着拉应变的增大,吸收系数峰值呈现出逐渐减小的趋势,且峰位不断向低能量区移动,上述结果说明锗原子数的增加与施加拉应变均导致[112]硅锗纳米线的吸收谱产生红移.本文的研究为硅锗异质结纳米线光电器件研究与设计提供一定的理论参考.     

(001)面任意方向单轴应变硅材料能带结构

首先计算了(001)晶面单轴应变张量,在此基础上采用结合形变势理论的K ·P微扰法建立了在(001)晶面内受任意方向的单轴压/张应力作用时,应变硅材料的能带结构与应力(类型、大小)及晶向的关系模型,进而分析了不同单轴应力(类型、大小)及晶向对应变硅材料导带带边、价带带边、导带分裂能、价带分裂能、禁带宽度的影响.研究结果可为单轴应变硅器件应力及晶向的选择设计提供理论依据. 关键词： 单轴应变硅 K ·P法 能带结构     

Dangling bond modulating the electronic and magnetic properties of zigzag SiGe nanoribbon

First-principles nonmagnetic calculations reveal a metallic character in zigzag SiGe nanoribbons (ZSiGeNRs) regardless of their width. The partial DOS projected onto the Si and Ge atoms of ZSiGeNR shows that a sharp peak at the Fermi level is derived from the edge Si and Ge atoms. The charge density contours show the Si–Ge bond is covalent bond, while for the Si–H bond and Ge–H bond, the valence charges are strongly accumulated around H atoms due to their stronger 1 s potential and the higher electronegativity of 2.20 than that of 1.90 for Si atom and 2.01 for Ge atom, so that a significant charge transformation from Si or Ge atoms to H atoms and thus an ionic binding feature. Spin–polarization calculations show that the band structures of ZSiGeNR are modified by the dangling bonds. Compared with perfect ZSiGeNR which is a ferrimagnetic semiconductor, the bands of the ZSiGeNRs with bare Si edge, bare Ge edge, and bare Si and Ge edges shift up and nearly flat extra bands appear at the Fermi level. The ZSiGeNR with bare Si edge or bare Ge edge is a ferrimagnetic metal, while ZSiGeNR with bare Si and Ge edges is a nonmagnetic metal.     

Modulating the bandgaps of graphdiyne nanoribbons by transverse electric fields

The effect of external transverse electric fields on the bandgaps of graphdiyne nanoribbons is investigated from first-principles calculations. The giant Stark effect is observed in the ribbons. When the field is applied, the valence and conduction band edge states are found to be strongly localized at low and high potential edges of the ribbon, respectively. Due to the wavefunction localization, the bandgap decreases with increasing field strength, and a semiconductor-metal transition occurs below a threshold field value. It is also shown that the bandgap decreasing rate depends linearly on the ribbon width. The tunable bandgap of a graphdiyne nanoribbon under an electric field would be helpful for practical applications.     

Absorption measurement of strained SiGe nanostructures deposited by UHV-CVD

In order to obtain a low band gap photocell based on the widely spread silicon technology, e.g. for thermophotovoltaics, SiGe nanostructures can be introduced into a monocrystalline silicon photocell. Beforehand, it is necessary to know the absorption coefficient of the SiGe quantum wells. On a silicon (1 0 0) substrate multiple Si/SiGe quantum well structures were grown by UHV-CVD. The Ge concentration and the well width were used as growth parameters. To obtain significant absorption, the experiment was set up to allow for 200 internal reflections.The total reflection of the light results in a standing electromagnetic wave. The absorption coefficient was obtained from the experimental data taking the geometry and the electric field distribution in the absorbing layer into account. The influence of well width and germanium content on the absorption was investigated with the goal of maximizing the absorption for photons with energies below the band gap energy of silicon. The measurement results are compared with a theoretical model, which takes the band structure of strained SiGe including confinement effects into account.     

Enhancement of band-edge emission induced by defect transition in the composite of ZnO nanorods and CdSe/ZnS quantum dots

A new and general approach to enhance band-edge emission at the expense of defect emission in a semiconductor nanocomposite is proposed. The underlying mechanism is based on the resonance effect between defect transition and band-to-band excitation and transfer of excited electrons between conduction band edges. With our approach, it is possible to convert defect loss into bandgap emission. As an example, we demonstrate that the bandgap emission of ZnO nanorods can be enhanced by as much as 30 times when they are compounded with CdSe/ZnS nanoparticles.     

外场调控下硼磷烯量子点的电子结构和光学性质研究

采用紧束缚近似方法对锯齿状六边形硼磷烯量子点在平面电场和垂直磁场调控下的电子结构和光学性质进行了研究. 研究表明,硼磷烯量子点作为直接带隙半导体,在无外加电场和磁场作用时,能隙不随尺寸的改变而变化. 在平面电场调控下,能隙随电场强度的增加逐渐减小直至消失,平面电场方向几乎不会对硼磷烯量子点体系产生影响, 且随量子点尺寸的增大,能隙消失所需电场强度逐渐减小. 在垂直磁场调控下,表现为体态的能级在磁场作用下形成朗道能级,而能隙边缘处的朗道能级近似为一个平带,不随磁通量的改变而变化,态密度主要分布于朗道能级处. 另外,垂直磁场作用下的光吸收主要是由朗道能级之间的跃迁引起的.     

应变Si1-xGex能带结构研究

采用结合形变势理论的K.P微扰法建立了（001）,（101）和（111）面弛豫Si衬底上生长的应变Si_1-xGe_x（x≤0.5）的能带结构模型,获得了其导带带边能级、价带带边能级、导带劈裂能、价带劈裂能及禁带宽度随Ge组分（x）的函数变化关系,该量化数据对器件研究设计可提供有价值的参考． 关键词： 1-xGe_x')" href="#">应变Si_1-xGe_x K.P 法 能带结构     

GeO2-SiO2纳米复合材料的合成及其光学特性研究

运用溶胶-凝胶法合成了GeO2-SiO2纳米复合材料,探索了为pH在2的条件下通过水解Si(OC2H5)4和GeCl4合成GeO2-SiO2干胶的过程.在100～1 200℃下对干胶进行热处理.采用UV光谱法测定了材料的光学性质,观察到随热处理温度的升高,样品光谱的吸收边向长波方向移动.由于温度的影响,晶粒长大,带隙能量减小,纳米微晶的量子尺寸效应显示出来.经X射线衍射分析,观察到了随热处理温度的增高,材料结构从无序到有序的转变过程,直到1 100℃时,有明显的微晶生成,其尺寸为5～10nm.