Fabrication of Two-Dimensional Arrays of Micron-Sized Gold Rings Based on Preferential Nucleation at Reentrant Sites

A templating method for fabricating two-dimensional （2D） arrays of micron-sized goM rings is reported. The microstructures are formed by electroless plating in a through-porous polymer membrane on a silicon substrate obtained from a closed-packed silica colloidal crystal. Our results show that the sizes of gold rings can be altered by varying electroless plating conditions for the porous polystyrene membranes. Moreover, we explain the growth mechanism of gold rings using the classical crystal growth theory that is preferential nucleation at reentrant sites.     

AlxGa1-xAs材料结构与物理特性的第一性原理研究

基于密度泛函理论,对Al组分由0～1变化时AlxGa1-xAs体系的晶体结构、差分电荷密度、光电性质以及热力学性质进行第一性原理计算.得到AlxGa1-xAs体系的晶格常数a与Al组分x之间呈线性增加关系.能带结构图显示其禁带宽度将随掺入Al组分x的增加而变大,并且当x≥0.5时,体系能带由直接带隙变为间接带隙.静介电系数ε1(0)随掺入Al组分增加而减小,吸收系数带边随x增大而发生蓝移现象.由材料体系的德拜温度随Al组分的变化情况可知,Al组分增加,体系的声速和弹性劲度常数也相应地增大,高温时比热容的非线性增大是单位质量内AlxGa1-xAs的原胞数非线性增加所导致.通过分析不同Al组分下AlxGa1-xAs体系的光电特征、热力学性质,从而为AlxGa1-xAs在光电子器件以及太阳能电池等方面的应用以及后续的深入研究打下理论基础.     

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.     

Effect of initial crystallization temperature and surface diffusion on formation of GaAs multiple concentric nanoring structures by droplet epitaxy

GaAs multiple concentric nano-ring structures(CNRs)are prepared with multistep crystallization procedures by droplets epitaxy on GaAs(001)to explore the influence of different initial crystallization temperatures on CNRs morphology.Atomic force microscope(AFM)images show that GaAs nanostructures are more likely to form elliptical rings due to diffusion anisotropy.Meanwhile,with the increase of initial crystallization temperature,the inner ring height and density of CNRs are increased,and outer rings are harder to form.In addition,the mechanism of formation of CNRs is discussed by classical nucleation theory and diffusion theory.The method can be used to calculate the diffusion activation energy of gallium atoms(0.7±0.1 eV)on the GaAs(001)surface conveniently.     

Step instability of the surface during Ino.2Gao.sAs （001） annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8As/GaAs（001） surface has been investigated by scanning tunneling microscopy （STM）. The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton Cabrer-Frank （BCF） model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

表面形貌对GaAs生长速率测量的影响

本文利用Reflection High Energy Electron Diffraction (RHEED)强度振荡测量GaAs同质外延生长,发现其生长速率随生长厚度按一定指数函数关系衰减.这种衰减与GaAs表面形貌的变化密切相关,表面台阶数量的增加使层状生长模式由2D成核模式逐渐转变为台阶流模式.由于RHEED强度振荡所测的生长速率与表面的粗糙程度密切相关,表面情况改变对生长速率会有一定的影响,导致测量的生长速率逐渐的衰减.根据生长速率随生长厚度的增加而衰减的拟合曲线,可以获得一个准确的生长速率.     

Al_xIn_(1-x)As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,对各组分Al_xIn_(1-x)As(x为0～1)的晶体结构,电子结构和光学性质进行了第一性原理计算.结果显示,随Al组分x增加,Al_xIn_(1-x)As晶体各键长将缩短,键角发生变化,晶胞体积也将减小,晶格常数的变化符合Vegard定律.另外,随着Al组分x的增加,Al_xIn_(1-x)As的禁带宽度变宽,且能带有从直接带隙结构转变为间接带隙结构的趋势.具有较高In组分的Al_xIn_(1-x)As晶体在可见光区域中的光吸收能力更强,光谱响应范围更大.     

Step instability of the In_0.2Ga_0.8As （001） surface during annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8 As/GaAs(001) surface has been investigated by scanning tunneling microscopy (STM). The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton–Cabrera–Frank (BCF) model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

基于液滴外延技术变Al、Ga组分对GaAs表面液滴生长形貌的影响

液滴外延技术不仅适用于晶格失配,也适用于晶格匹配材料系统,且易于制备低维半导体结构,如低密度量子点、环等.本文研究了液滴外延法在GaAs表面进行不同Al、Ga组分的量子点生长.在实验中用反射式高能电子衍射仪(Reflection High Energy Electron Diffraction, RHEED)对样品进行原位监控.通过控制Al、Ga液滴的沉积速率来控制液滴同时沉积在衬底上形成的组分.研究发现,随着Al组分的增加,量子点逐渐变得密集,润湿角变低.在Al组分增高超过0.5之后,出现了大小不一的量子点,且量子点密度出现指数型增长.对此进行研究分析,给出了一个经验公式,并就现象进行了解释.     

Cu-N共掺β-Ga2O3的光电性质的第一性原理计算

基于密度泛函理论,本文通过OTFG赝势方法计算了本征β-Ga₂O₃以及Cu-N共掺后β-Ga₂O₃的晶格常数、电子结构以及光学特性.计算结果表明本征β-Ga₂O₃的禁带宽度为4.5 eV;Cu和N掺入β-Ga₂O₃后属于受主杂质,并且引入了深受主能级,这表明Cu-N共掺后β-Ga₂O₃变为p型半导体材料;光学性质计算结果表明本征β-Ga₂O₃的静介电函数为2.5,掺杂后β-Ga₂O₃的静介电函数增大,对电荷的存储能力增强;此外,Cu-N的共掺对β-Ga₂O₃的吸收系数、反射率在能量较低的区域的影响较大,而对能量较高的区域影响较小.