应变层异质结ZnS／ZnSe的价带带阶

采用基于ＬＭＴＯ－ＡＳＡ的平均结合能计算方法，研究了在ＺｎＳｘＳｅ１－ｘ衬底上沿（００１）方向外延生长的应变层异质结ＺｎＳ／ＺｎＳｅ的价带带阶值。研究表明，应变的结果使价带带阶随衬底组分（ｘ）的变化呈非线性且单调的关系；与其他理论计算和实验结果比较，本文的计算结果比较理想。     

核/壳结构ZnS:Mn/ZnS量子点光发射增强研究

利用水溶性前驱体材料在水性介质中制备了ZnS:Mn和ZnS:Mn/ZnS核/壳结构量子点(QDs,quantum dots),并用X射线衍射(XRD)、光致发光(PL)对ZnS:Mn和ZnS:Mn/ZnS核/壳结构QDs的结构和发光性能进行研究.ZnS:Mn和ZnS:Mn/ZnS QDs XRD谱与标准谱吻合,根据De...     

ZnSe／ZnS多量子阱光开关的优化设计

提出了ZnSe/ZnS多量子阱光开关的综合优化设计方案。根据Kronig-Penney模型对多量子阱结构进行优化,根据实验结果对多量子阱构成的非线性F-P进行了优化设计。     

ZnSe／ZnS超晶格激子能级的计算及实验研究

从理论和实验上研究了ZnSe/ZnS超晶格的激子能级,采用LCAO理论和Kronig-Penney模型计算了超晶格中电子、空穴和激子能带随垒宽的变化,测量了垒宽为5.8nm超晶格的低温吸收光谱和发光光谱,实验结果与理论一致。     

分子束外延ZnSe/ZnSxSe1-x超晶格光学特性

用分子束外延方法在GaAs(100)衬底上生长了高质量的ZnSe/ZnSxSe1-x(x=0.12)超晶格结构，通过X射线衍射谱和光致发光谱，对其结构特性和光学特性进行了研究。结果表明：在4．4K温度下，超晶格样品显示较强的蓝光发射，主发光峰对应于阱层ZnSe的基态电子到重空穴基态的自由激子跃迁，而且其峰位相对于ZnSe薄膜的自由激子峰有明显蓝移。从理论上分析计算了由变就和量子限制效应引起的自由激妇峰位移动，理论和实验结果相吻合。     

分子束外延ZnSe/ZnS_xSe_(1-x)超晶格光学特性

用分子束外延方法在 Ga As(10 0 )衬底上生长了高质量的 Zn Se/ Zn Sx Se1 - x(x=0 .12 )超晶格结构 ,通过 X射线衍射谱和光致发光谱 ,对其结构特性和光学特性进行了研究 .结果表明 :在 4 .4 K温度下 ,超晶格样品显示较强的蓝光发射 ,主发光峰对应于阱层 Zn Se的基态电子到重空穴基态的自由激子跃迁 ,而且其峰位相对于 Zn Se薄膜的自由激子峰有明显蓝移 .从理论上分析计算了由应变和量子限制效应引起的自由激子峰位移动 ,理论和实验结果相吻合     

Ionization and diffusion of metal atoms under electric field at metal/insulator interfaces; First-principles study

The ionization and diffusion of metal atoms at metal/SiO₂ interfaces under an electric field are studied by first-principles calculation. It is shown that the ionization of metal atoms occurs when the hybridization of metal-atom electronic states with metal-induced gap states (MIGS) is broken. Moreover, we show that an electric field markedly decreases the penetration barrier of metal atoms from a metal electrode into SiO₂ and enhances the diffusion of metal atoms.     

强电场对NiO电子结构性质的影响研究

基于平面波密度泛函理论研究了电场强度为10V?nm-1下立方结构氧化镍的电子结构性质。结果表明:立方相氧化镍在电场强度10V?nm-1下呈现导体的能带结构,价带上移到导带,态密度谱图在多个能量取得最值,局域化效应增强,费米能级附近的态密度增大为原系统的2倍多。费米能级上的载流子浓度由4 e/eV增大到15 e/eV,这源于Op、Nis、Nid态对费米面的贡献。强电场下的电子在不同量子状态之间显示了明显的转移,介电函数计算表明强电场下体系在0.32 eV附近具有最大的吸收,吸收峰峰值66.89。强电场明显调控了NiO的电学、光学和场致光吸收性能。     

ZnS:Er电子结构和光学性质的第一性原理计算

采用第一性原理平面波赝势方法,分析了ZnS及掺杂Er3+之后的电子结构,进而预测了其光学性质。结果表明,掺杂之后体系的带隙变窄,同时价带与导带之间形成一个新的中间带。随着掺杂Er3+浓度的增加,体系的绝缘性呈下降趋势,吸收光谱则发生红移现象。这一结论与前人报道的实验结果相符。     

ZnSe/SiO2薄膜光学常数的椭偏光谱测量

采用溶胶-凝胶工艺与原位生长技术,制备了ZnSe/SiO2复合薄膜。X-射线衍射(XRD)分析表明,ZnSe/SiO2复合薄膜中ZnSe晶体为闪锌矿(立方ZnS)。利用椭偏光谱仪测量了不同ZnSe含量的ZnSe/SiO2复合薄膜的椭偏参数Δ与波长λ的色散关系,采用Maxwell-Garnett(MG)有效介质理论对薄膜的光学常数、厚度、气孔率、ZnSe的浓度进行了计算。结果表明,单层ZnSe/SiO2薄膜厚度在300 nm以上时,随着溶胶体系Zn2 、SeO42-浓度的增加而增大,气孔率在30%左右,ZnSe含量约为溶胶体系中Zn2 、SeO42-浓度的1/2;通过MG有效介质理论的计算表明,可以通过调整旋涂次数及Zn2 、SeO42-浓度来调整薄膜的厚度和ZnSe/SiO2的摩尔比率,可在工艺上控制ZnSe/SiO2复合薄膜光学参数。     

Effects of vertical electric field and compressive strain on electronic properties of bilayer ZrS2

Using first-principles calculations, including Grimme D2 method for van der Waals interactions, we investigate the tuning electronic properties of bilayer zirconium disulfides (ZrS₂) subjected to vertical electric field and normal compressive strain. The band gap of ZrS₂ bilayer can be flexibly tuned by vertical external electric field. Due to the Stark effect, at critical electric fields about 1.4 V/Å, semiconducting-metallic transition presents. In addition, our results also demonstrated that the compressive strain has an important impact on the electronic properties of ZrS₂ bilayer sheet. The widely tunable band gaps confirm possibilities for its applications in electronics and optoelectronics.     

Facile synthesis of high-quality ZnS,CdS, CdZnS,and CdZnS/ZnS core/shell quantum dots: characterization and diffusion mechanism

Binary CdS and ZnS and ternary CdZnS alloy quantum dots (QDs) were synthesized via a simple, inexpensive, and reproducible route using sulfur, cadmium stearate, and zinc stearate as precursors and N-oleoylmorpholine as the reaction medium and solvent. Both binary and ternary QDs exhibited a narrow size distribution and high crystallinity as confirmed TEM and HRTEM images. The alloy QDs exhibited excellent composition-dependent optical properties and a narrow full-width at half maximum of 19–21 nm. UV-visible absorbance and photoluminescence (PL) emission spectra of the CdZnS QDs showed a blue shift during growth, indicating the formation of alloy QDs. ZnS shells were successively coated onto the alloy core via decomposition of zinc diethyldithiocarbamate at a relatively low temperature. The CdZnS/ZnS core/shell QDs obtained showed a significant increase in size and exhibited strong band edge emission with a significant increase in PL quantum yield. XRD patterns revealed that all the QDs had a zinc blende structure. The QD diffraction peaks gradually shifted to higher angle in the order CdS < CdZnS < CdZnS/ZnS < ZnS. The mechanism for the synthesis of CdZnS alloy and CdZnS/ZnS core/shell QDs is discussed.     

CdSe/ZnS量子点光纤纤芯基底的研究

量子点光纤正逐渐成为光通信领域的研究热点。首先介绍了CdSe/ZnS量子点掺杂光纤的发展历史,随后给出两种不同纤芯基底材料的CdSe/ZnS量子点掺杂光纤的制备方法,并对它们的光谱特性及发射峰值增益进行了分析比较,最后分析得出适合CdSe/ZnS量子点掺杂光纤的纤芯基底材料。CdSe/ZnS量子点掺杂光纤基底材料的研究对其他量子点光纤的研制具有一定的借鉴作用。     

Implications of gate-edge electric field in AlGaN/GaN high electron mobility transistors during OFF-state degradation

Gate degradation in high electron mobility transistors (HEMTs) under OFF-state stress results from the high electric field near the gate edge. We investigate the evolution of this field over time in AlGaN/GaN HEMTs upon OFF-state stress using a combination of electroluminescence (EL) microscopy and spectroscopy. EL analysis suggests that the electric field at the sites of generated surface defects is lowered after the stress, with greater lowering at higher stress temperature. The ON-state EL spectrum remains unchanged after the stress, suggesting that the regions without generated defects are not affected during the degradation. A finite element model is employed to further demonstrate the effect of surface defects on the local electric field. A correlation is observed for the spatial distribution of the EL intensity before and after the generation of leakage sites, which provides a prescreening method to predict possible early failures on a device.     

退火温度对ZnS/PS薄膜的晶体结构和光电性质的影响

用脉冲激光沉积法(PLD)在多孔硅(PS)衬底上生长ZnS薄膜,分别在300℃、400℃和500℃下真空退火。用X射线衍射(XRD)和扫描电子显微镜(SEM)研究了退火对ZnS薄膜的晶体结构和表面形貌的影响,并测量了ZnS/PS复合体系的光致发光(PL)谱和异质结的I-V特性曲线。研究表明,ZnS薄膜仅在28.5°附近存在着(111)方向的高度取向生长,由此判断薄膜是单晶立方结构的-βZnS。随着退火温度的升高,-βZnS的(111)衍射峰强度逐渐增大,且ZnS薄膜表面变得更加均匀致密,说明高温退火可以有效地促进晶粒的结合并改善结晶质量。ZnS/PS复合体系的PL谱中,随着退火温度升高,ZnS薄膜的自激活发光强度增大,而PS的发光强度减小,说明退火处理更有利于ZnS薄膜的发光。根据三基色叠加的原理,ZnS的蓝、绿光与PS的红光相叠加,ZnS/PS体系可以发射出较强的白光。但过高的退火温度会影响整个ZnS/PS体系的白光发射。ZnS/PS异质结的I-V特性曲线呈现出整流特性,且随着退火温度的升高其正向电流增加。     

Cathodoluminescence spectroscopy of deep defect levels at the ZnSe/GaAs interface with a composition-control interface layer

In this work we investigate ZnSe/GaAs heterostructures with an additional 2 nm controlled interfacial layer (CIL) of Se- or Zn-rich composition to modify the band offset. The samples are analyzed as a function of annealing temperature by cathodoluminescence spectroscopy. The as-prepared samples show defect luminescence at ∼ 0.9 eV. With staged annealing at increasing temperatures, both the Zn-rich as well as the Se-rich interfacial layer exhibits luminescence at ∼ 1.9 eV, indicative of defect formation with an onset temperature of ∼400°C. Excitation-dependent spectroscopy provides evidence for defect formation near the interface, which extends into the ZnSe epilayer at higher temperatures. Compared to earlier work, where the threshold temperature for defect formation in bulk samples fabricated under Se-rich growth conditions occurs at temperatures as low as 325°C, the resistance to defect formation has now been improved to that of stoichiometric ZnSe. These results demonstrate that epitaxially grown CILs provide a means to alter ZnSe/GaAs band offsets without degrading the heterojunction’s resistance to defect formation at elevated temperatures.     

Znse/GaAs超晶格的电子态和芯态激子

本文用半经验紧束缚法计算了ZnSe/GaAs(001)超晶格的能带结构,研究了其能隙与有效质量随层厚的变化.计算了(ZnSe)_5/(GaAs)_5超晶格中与杂质有关的芯态激子,其结果能说明相应异质结中束缚在Ga上的激子峰.本文还提出了该材料中导带底存在界面态.     

ZnS薄膜生长温度对ZnS/PS体系结构和发光的影响

用电化学阳极氧化法制备了一定孔隙率的多孔硅(PS,Porous Silicon)样品,然后以PS为衬底用脉冲激光沉积(PLD)的方法在100℃、200℃和300℃下生长ZnS薄膜.X射线衍射(XRD)结果表明,样品都在28.5°附近有一个较强的衍射峰,对应于β-ZnS(111)晶向,说明薄膜沿该方向择优取向生长,但由于衬底PS粗糙的表面结构,衍射峰的半高全宽(FWHM)较大.随着ZnS薄膜生长温度的升高,薄膜的衍射峰强度逐渐增强.扫描电子显微镜(SEM)像显示,随着薄膜生长温度的升高,构成薄膜的纳米晶粒生长变大.室温下的光致发光(PL)谱表明,随着薄膜生长温度的升高,ZnS的发光强度增强而PS的发光强度减弱,把ZnS的蓝绿光与PS的红光叠加,在可见光区450～700 nm形成了一个较宽的光致发光谱带,呈现较强的白光发射.