Zn,O共掺杂实现p型AlN的第一性原理研究

基于密度泛函理论(density functional theory),采用第一性原理平面波超软赝势法,研究了纤锌矿AlN,Zn掺杂和Zn,O共掺杂AlN的晶体结构、能带、电子态密度、差分电荷分布及电荷布居数.计算结果表明:Zn,O共掺杂方法中引入激活施主O原子,能使受主能级向低能方向移动,形成了浅受主能级.同时,受主能带变宽、非局域化特征明显、从而提高了Zn原子的掺杂浓度和系统的稳定性.Zn,O共掺杂更有利于获得p型AlN. 关键词： 第一性原理 AlN 电子结构 p型共掺杂     

AlN纳米线宏观阵列的制备

借助二次模板法成功的合成了AlN纳米线宏观阵列,并进行了表征.主要研究CVD法制备有一定取向,直径均匀的AlN纳米线宏观阵列的过程.通过气相沉积法和利用PS球自组装模板制备了金属纳米颗粒模板;再以模板上的金属纳米颗粒作为催化剂,利用化学气相沉积在模板上合成AlN纳米线宏观阵列.借助SEM,TEM观察所得样品,AlN纳米线阵列面积约为0.3 mm×0.2 mm,直径和长度分布均匀,平均直径约为41 nm,平均长度为1.8 μm左右,分散密度和覆盖率大的六角结构AlN纳米线宏观阵列.得到了可控制备AlN纳米线 关键词： AlN纳米线阵列 模板法 CVD法 SEM     

中频脉冲磁控溅射制备氮化铝薄膜

使用中频脉冲磁控溅射技术分别在Si（111）、玻璃以及高速钢基底上沉积A1N薄膜，利用X射线衍射、X射线光电子谱、扫描电镜、紫外荧光、FTIR、精密阻抗分析仪等研究了薄膜的结构、光学及电学性质，结果表明，生成的（002）取向多晶A1N薄膜在可见光区域平均透过率超过75％，在紫外区域也具有较高的透过经，在低频交流区域具有良好的绝缘性。     

氮气含量对硅基AlN薄膜结构及性能的影响

研究了直流磁控溅射法沉积AlN薄膜过程中氮气含量对AlN薄膜结构及性能的影响.实验结果表明:当真空腔的氩气含量较低时,薄膜呈非晶态,在红外波段的傅里叶变换光谱中没有明显的吸收峰,当氮气流量为75%时薄膜中出现明显的六方AlN(100)和AlN(110)衍射峰,在波数为670～700cm-1处有强烈的吸收峰;增加氮气含量,薄膜又呈现出非晶状态.薄膜的表面粗糙度和颗粒大小都随氮气含量的增加先增大后减小..     

AlN插入层对a-AlGaN的外延生长的影响

采用有机金属化学气相沉积(MOCVD)在r面蓝宝石衬底上生长a-AlGaN外延膜,研究了AlN插入层对a-AlGaN外延膜的应力和光学性质的影响。根据高分辨X射线衍射(HRXRD)技术和扫描电子显微镜(SEM)我们可以得到,AlN插入层有效地提高了a-AlGaN外延膜的晶体质量并减小了外延膜材料结构的各向异性。由拉曼光谱得到AlN插入层的引入减小了a-AlGaN外延膜的面内压应力,其原因是AlN插入层可以当作衬底有效的调制与减小a-AlGaN外延膜与r面蓝宝石衬底的晶格失配,从而使a-AlGaN的面内应力得到适当释放。对室温下的光致发光进行测量得到AlN插入层的使用使近带边发射峰(NBE)发生了红移,这可能是由于残余应力的减小引起。     

Electronic,optical, and mechanical properties of BN,AlN, and InN with zinc-blende structure under pressure

In this work, the electronic, optical, and mechanical properties of BN, AlN, and InN under the action of pressure are calculated. For each of these compounds, the energy band structure, band gaps(E~L_g, E~Γ_g, E~X_g), refractive index(n),dielectric constants(ε_∞, ε_0), elastic constants(C_11, C_12, C_44), and relevant parameters such as bulk(B_u), shear(S_h), and Young's(Y_0) moduli are studied, and other important parameters such as bond-stretching(α), bond-bending(β) force constant, internal-strain parameter(ζ), effective charges(e~*_T, Z~*), anisotropy factor(I_s), Poisson's ratio(P_o), Cauchy ratio(C_a), the ductility index(μ_D), and linear compressibility(C0_) are also calculated. The effects of pressure on all studied properties are investigated. Our results are in good agreement with the available experimental and theoretical data for BN,AlN, and InN.     

Structure and mechanical properties of Al/AlN multilayer with different AlN layer thickness

Nanometer scale Al/AlN multilayers have been prepared by dc magnetron sputtering technique with a columnar target. A set of Al/AlN multilayers with the Al layer thickness of 2.9 nm and the AlN layer thickness variation from 1.13 to 6.81 nm were determined. Low angle X-ray diffraction (LAXRD) was used to analyze the layered structure of multilayers. The phase structure of the coatings was investigated with grazing angle XRD (GAXRD). Mechanical properties of these multilayers were thoroughly studied using a nanoindentation and ball-on-disk micro-tribometer. It was found that the multilayer hardness and reduced modulus showed no strong dependence on the AlN layer thickness. Al2.9 nm/AlN1.13 nm multilayer had more excellent tribological properties than single layers and other proportion multilayers with a lowest friction coefficient of 0.15. And the tribological properties of all the multilayers are superior to the AlN single layer.     

High resolution X-ray diffraction of GaN grown on Si (1 1 1) by MOVPE

High temperature GaN layers have been grown on Si (1 1 1) substrate by metalorganic vapor phase epitaxy (MOVPE). AlN was used as a buffer layer and studied as a function of thickness and growth temperature. The growth was monitored by in situ laser reflectometry. High resolution X-ray diffraction (HRXRD) revealed that optimized monocrystalline GaN was obtained for a 40 nm AlN grown at 1080 °C. This is in good agreement with the results of morphological study by scanning electron microscopy (SEM) and also confirmed by atomic force microscopy (AFM) observations. The best morphology of AlN with columnar structure and lower rms surface roughness is greatly advantageous to the coalescence of the GaN epilayer. Symmetric and asymmetric GaN reflections were combined for twist and stress measurements in monocrystalline GaN. It was found that mosaicity and biaxial tensile stress are still high in 1.7 μm GaN. Curvature radius measurement was also done and correlated to the cracks observations over the GaN surface.     

Influence of AlN buffer layer thickness on structural properties of GaN epilayer grown on Si (111) substrate with AlGaN interlayer

We present the growth of GaN epilayer on Si (111) substrate with a single AlGaN interlayer sandwiched between the GaN epilayer and AlN buffer layer by using the metalorganic chemical vapour deposition. The influence of the AlN buffer layer thickness on structural properties of the GaN epilayer has been investigated by scanning electron microscopy, atomic force microscopy, optical microscopy and high-resolution x-ray diffraction. It is found that an AlN buffer layer with the appropriate thickness plays an important role in increasing compressive strain and improving crystal quality during the growth of AlGaN interlayer, which can introduce a more compressive strain into the subsequent grown GaN layer, and reduce the crack density and threading dislocation density in GaN film.     

Comparative study of different properties of GaN films grown on(0001) sapphire using high and low temperature AlN interlayers

Comparative study of high and low temperature AlN interlayers and their roles in the properties of GaN epilayers prepared by means of metal organic chemical vapour deposition on (0001) plane sapphire substrates is carried out by high resolution x-ray diffraction, photoluminescence and Raman spectroscopy. It is found that the crystalline quality of GaN epilayers is improved significantly by using the high temperature AlN interlayers, which prevent the threading dislocations from extending, especially for the edge type dislocation. The analysis results based on photoluminescence and Raman measurements demonstrate that there exist more compressive stress in GaN epilayers with high temperature AlN interlayers. The band edge emission energy increases from 3.423~eV to 3.438~eV and the frequency of Raman shift of $E_{2 }$(TO) moves from 571.3~cm$^{ - 1}$ to 572.9~cm$^{ - 1}$ when the temperature of AlN interlayers increases from 700~$^{\circ}$C to 1050~$^{\circ}$C. It is believed that the temperature of AlN interlayers effectively determines the size, the density and the coalescence rate of the islands, and the high temperature AlN interlayers provide large size and low density islands for GaN epilayer growth and the threading dislocations are bent and interactive easily. Due to the threading dislocation reduction in GaN epilayers with high temperature AlN interlayers, the approaches of strain relaxation reduce drastically, and thus the compressive stress in GaN epilayers with high temperature AlN interlayers is high compared with that in GaN epilayers with low temperature AlN interlayers.