Theoretical study on the improvement of the doping efficiency of Al in 4H-SiC by co-doping group-IVB elements

The p-type doping efficiency of 4H silicon carbide (4H-SiC) is rather low due to the large ionization energies of p-type dopants. Such an issue impedes the exploration of the full advantage of 4H-SiC for semiconductor devices. In this study, we show that co-doping group-IVB elements effectively decreases the ionization energy of the most widely used p-type dopant, i.e., aluminum (Al), through the defect-level repulsion between the energy levels of group-IVB elements and that of Al in 4H-SiC. Among group-IVB elements Ti has the most prominent effectiveness. Ti decreases the ionization energy of Al by nearly 50%, leading to a value as low as ~0.13 eV. As a result, the ionization rate of Al with Ti co-doping is up to ~5 times larger than that without co-doping at room temperature when the doping concentration is up to 10¹⁸ cm^-3. This work may encourage the experimental co-doping of group-IVB elements such as Ti and Al to significantly improve the p-type doping efficiency of 4H-SiC.     

基于碳化硅衬底的宽禁带半导体外延

宽禁带半导体具备禁带宽度大、电子饱和飘移速度高、击穿场强大等优势,是制备高功率密度、高频率、低损耗电子器件的理想材料。碳化硅(SiC)材料具有热导率高、化学稳定性好、耐高温等优点,在SiC衬底上外延宽禁带半导体材料,对充分发挥宽禁带半导体材料的优势,并提升宽禁带半导体电子器件的性能具有重要意义。得益于SiC衬底质量持续提升及成本不断降低,基于SiC衬底的宽禁带半导体电子市场占比呈现逐年增加的态势。在SiC衬底上外延生长高质量的宽禁带半导体材料是提高宽禁带半导体电子器件性能及可靠性的关键瓶颈。本文综述了近年来国内外研究者们在SiC衬底上外延SiC、氮化镓(GaN)、氧化镓(Ga₂O₃)所取得的研究进展,并展望了SiC衬底上宽禁带半导体外延的发展及应用前景。     

磨料形貌及分散介质对4H碳化硅晶片研磨质量的影响研究

研磨作为4H碳化硅(4H-SiC)晶片加工的重要工序之一，对4H-SiC衬底晶圆的质量具有重要影响。本文研究了金刚石磨料形貌和分散介质对4H-SiC晶片研磨过程中材料去除速率和面型参数的影响，基于研磨过程中金刚石磨料与4H-SiC晶片表面的接触情况，推导出简易的晶片材料去除速率模型。研究结果表明，磨料形貌显著影响4H-SiC晶片的材料去除速率，材料去除速率越高，晶片的总厚度变化(TTV)越小。由于4H-SiC中C面和Si面的各向异性，4H-SiC晶片研磨过程中C面的材料去除速率高于Si面。在分散介质的影响方面：水基体系研磨液的Zeta电位绝对值较高，磨料分散均匀，水的高导热系数有利于控制研磨过程中的盘面温度；乙二醇体系研磨液的Zeta电位绝对值小，磨料易发生团聚，增大研磨过程的磨料切入深度，晶片的材料去除速率提高，晶片最大划痕深度随之增大。     

Quantum confinement and surface chemistry of 0.8–1.6 nm hydrosilylated silicon nanocrystals

In the framework of density functional theory(DFT), we have studied the electronic properties of alkene/alkynehydrosilylated silicon nanocrystals(Si NCs) in the size range from 0.8 nm to 1.6 nm. Among the alkenes with all kinds of functional groups considered in this work, only those containing –NH2and –C4H3S lead to significant hydrosilylationinduced changes in the gap between the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of an Si NC at the ground state. The quantum confinement effect is dominant for all of the alkenehydrosilylated Si NCs at the ground state. At the excited state, the prevailing effect of surface chemistry only occurs at the smallest(0.8 nm) Si NCs hydrosilylated with alkenes containing –NH2and –C4H3S. Although the alkyne hydrosilylation gives rise to a more significant surface chemistry effect than alkene hydrosilylation, the quantum confinement effect remains dominant for alkyne-hydrosilylated Si NCs at the ground state. However, at the excited state, the effect of surface chemistry induced by the hydrosilylation with conjugated alkynes is strong enough to prevail over that of quantum confinement.     

CuPc/MoS2范德瓦耳斯异质结荧光特性

在众多二维材料中,过渡金属硫族化合物由于其具有独特的光电特性深受广大研究者喜爱.近年来,由二维过渡金属硫族化合物材料与有机半导体结合构建的范德瓦耳斯异质结受到极大的关注.这种异质结可以利用两者的优势对光电特性等性能进行调控,为许多基础物理和功能器件的构建提供了研究思路.本文构建了酞菁铜/二硫化钼(CuPc/MoS₂)范德瓦耳斯异质结,并对其荧光特性进行了表征和分析.与单层MoS₂相比较发现,引入有机半导体CuPc后,异质结当中发生了明显的荧光淬灭现象.通过荧光分析,该现象可以用引入CuPc后异质结中负三激子与中性激子之比增加来解释.此外,通过第一性原理计算分析发现,引入CuPc会在MoS₂的禁带中引入中间带隙态,使得CuPc与MoS₂之间产生非辐射复合,这同样会导致荧光淬灭的发生.CuPc/MoS₂异质结的荧光淬灭现象可以为同类型范德瓦耳斯异质结的光电特性调控研究提供参考和思路.     

衬底温度对化学气相淀积原位生长YBa_2Cu_3O_(7-x)超导薄膜的影响

利用金属有机物化学气相淀积(MOCVD)技术在氧化钇稳定的 ZrO_2(YSZ)衬底上一次生长出零电阻温度大于85K 的 YBa_2Cu_3O_(7-x)(YBCO)超导薄膜.研究了衬底温度对薄膜结构的影响,获得薄膜取向与衬底温度的关系和形成超导相的最低温度范围.此外,讨论了薄膜与衬底间的外延关系.     

Li_2CO_3添加剂对石墨电极性能的影响

运用电化学阻抗谱(EIS)和循环伏安法(CV)研究了在1mol/LLiPF6-EC(碳酸乙烯酯):DMC(碳酸二甲酯)电解液中添加Li2CO3对石墨电极性能的影响及机制.CV研究结果表明,在1mol/LLiPF6-EC:DMC电解液中添加Li2CO3能够有效抑制石墨电极首次充放电过程中碳酸乙烯酯(EC)的单电子还原过程,即还原分解产生乙烯和碳酸锂的过程,进而改善石墨电极的电化学循环性能.EIS研究结果表明,在添加Li2CO3的1mol/LLiPF6-EC:DMC电解液中,石墨电极表面的固体电解质相界面膜(SEI膜)具有较强的黏弹性,可以更好地适应锂离子嵌入过程中石墨颗粒体积的微小变化,从而使锂离子的嵌入过程更容易进行.     

外偶极电场作用下H_2O,D_2O和T_2O的可逆分解电压

采用密度泛函B3P86方法和6-311++G(3df,3pf)基组,计算了在-0.05～0.05a.u.外偶极电场作用下,H2O,D2O,T2O,H2,D2,T2,O2的电子能量、核运动能量和熵值,在此基础上通过计算H2O(g)→H2(g)+O2(g)、D2O(g)→D2(g)+O2(g)、T2O(g)→T2(g)+O2(g)的焓变ΔH、熵变ΔS、Gibbs函数变化ΔG,最后得到了H2O,D2O,T2O的可逆分解电压Er.计算结果表明,外偶极电场存在时,H2O,D2O,T2O的Gibbs自由能变ΔG和可逆分解电压Er都有明显的变化,当外偶极电场正方向增加时,其Gibbs自由能变ΔG和可逆分解电压Er均趋于线性增加;当外偶极电场负方向增加时,其Gibbs自由能变ΔG和可逆分解电压Er均趋于线性减小;在相同外偶极电场作用下,Gibbs自由能变ΔG和可逆分解电压Er随H2O,D2O,T2O依次增加.     

辉石的拉曼光谱

由拉曼光谱仪测试巨晶普通辉石及包体中的顽火辉石、透辉石拉曼光谱,描述了谱图的位置、形态和相对强度,分析了振动模式,同时对相应的离子基团如非桥氧Si—O—,桥氧Si—O0,O—Si—O,M—O做了谱带归属。通过不同切片方向的谱带强度相对大小及某些谱带的缺失,初步研究了辉石族矿物晶体结晶学定向问题。     

航空图像高分辨率放大的小波方法研究

航空图像由于航空CCD相机距景物较远,所以图像分辨率较低。为了获得较高分辨率的数字图像,传统的方法就是要对原数字图像进行插值放大。提出了一种基于二维离散小波的图像放大方法,与传统插值方法相比,此方法既放大了图像、提高了分辨率,同时又保持了原始图像的细节特征。从实验结果来看,此方法是一种较好的提高航空图像分辨率的方法。