Modification of 4H-SiC and 6H-SiC(0001)<Subscript>Si</Subscript> surfaces through the interaction with atomic hydrogen and nitrogen

The interaction of 4H-SiC(0001)_Si and 6H-SiC(0001)_Si surfaces with atomic hydrogen and atomic nitrogen produced by remote radio-frequency plasmas is investigated. The kinetics of the surface modifications is monitored in real time using ellipsometry, while chemical modifications of the surface are characterized using x-ray photoelectron spectroscopy (XPS). Film morphological properties are assessed with atomic force microscopy (AFM). A two-stage substrate preparation procedure is described that effectively removes oxygen from the SiC surface at low (200°C) temperature. In the first step, the SiC surface is etched with an HCl/HF acid solution as an alternative to the conventional HF(1%)-H₂O solution. The HCl/HF etch provides effective hydrogen passivation of the SiC surface. In the second step, the SiC surface is exposed to atomic hydrogen that selectively interacts with residual oxygen. In addition, the temperature dependence of the nitridation of SiC surfaces has also been investigated. It is found that interaction of SiC surfaces with atomic hydrogen at 200°C provides clean, smooth, and terraced surfaces suitable for epitaxial growth. In contrast, SiC surface exposure at high temperature (750°C) to atomic hydrogen and nitrogen results in very rough and disordered Si-rich surfaces. Finally, we find that the 4H-SiC surface is more reactive than the 6H-SiC surface to both species studied, independent of temperature. Surface geometry and electronic factors responsible for the observed reactivities are discussed.     

Preparation of ultrasmooth and defect-free 4H-SiC(0001) surfaces by elastic emission machining

In this work, elastic emission machining (EEM), which is a precise surface-preparation technique using chemical reactions between the surfaces of work and fine powder particles, is applied to the flattening 4H-SiC (0001) surface. Prepared surfaces are observed and characterized by optical interferometry, atomic force microscopy (AFM), and low-energy electron diffraction (LEED). The obtained images show that the processed surface has atomic-level flatness, and the subsurface damage and surface scratches of the preprocessed surface are almost entirely removed.     

GaN/Al_2O_3(0001)的匹配机制及氮化的作用

在Ａｌ２Ｏ３（０００１）衬底上用ＭＯＣＶＤ（金属有机物气相沉积）方法进行了ＧａＮ的外延生长，通过Ｘ射线衍射（同步辐射源）研究了ＧａＮ和Ａｌ２Ｏ３（０００１）的匹配关系。结果表明，经充分氮化的衬底上，ＧａＮ以单一的匹配方式沿［０００１］方向生长；在Ａｌ２Ｏ３（０００１）衬底未经氮化或氮化不充分时，不同程度地出现了其它三种绕〈１１２０〉晶带轴倾斜一定角度的匹配位向。指出了ＧａＮ／Ａｌ２Ｏ３（０００１）的几种匹配方式的晶体学规律。ＧａＮ绕〈１１２０〉晶带轴倾斜的匹配方式是其外延生长过程中降低和Ａｌ２Ｏ３（０００１）的晶格失配、释放界面应变的重要机制之一。     

Micro-raman investigation of the n-dopant distribution in lateral epitaxial overgrown GaN/sapphire (0001)

We have investigated the n-dopant distribution in the overgrown and window regions of lateral-epitaxial overgrown GaN/sapphire (0001) using room-temperature micro-Raman spectroscopy in the backscattering configuration. From a fit to the high energy-coupled longitudinal optical (LO) phonon-plasmon mode (LPP⁺), we have evaluated n ≈ (6.5±0.6) × 10¹⁷ cm⁻³ in the overgrown region; a value considerably higher than that previously reported by Pophristic et al.⁵ The spectrum from the window region was harder to interpret because of the considerable overlap of the A₁(LO) mode and E_g (750 cm⁻¹) sapphire line with the LPP⁺ trace. The implications of our findings for the overgrown region on the measured thermal conductivity as well as other parameters will be discussed.     

闪锌矿GaN(110)表面原子和电子结构的理论计算

在密度泛函理论的基础上,采用平面波赝势方法计算了立方GaN(110)表面的原子和电子结构。结构优化表明最表层原子都向体内弛豫,且金属Ga原子弛豫幅度比非金属N原子大,同时各层层间距呈交错分布。表面弛豫后,最表层原子发生键长收缩的弛豫特性,表面Ga原子趋于形成sp2杂化得到的平面型构形,而表面N原子趋于形成p3型锥形结构。另外,理想立方GaN(110)表面在带隙中有两个明显的表面态,经过弛豫后,分别向价带和导带方向移动,并解释了导带底附近的表面态移动的幅度比价带顶附近的表面态大的原因主要由于表面Ga、N原子弛豫幅度不同引起的。此外,弛豫后,表面电荷重新分布,Ga原子周围的部分电子转移到N原子上。     

Si(113)表面电子结构的研究

采用Si_(16)H_(21)和Si_(31)H_(39)原子集团分别模拟Si(113)和Si(111)表面;通过半经验自洽CNDO法计算了两个体系的电子结构.结果表明,Si(113)具有与Si(111)不同的表面态特征.Si(113)表面台阶和台面原子上电荷重新分布,与悬键相关的表面电子态都强烈地定域在表面Si原子上,尤其局域在悬键方向上,并且具有比(111)面上更高的悬健态密度.理论计算结果能解释以前的光电子谱实验.     

Temperature Dependence of Epitaxial Graphene Formation on SiC(0001)

The formation of epitaxial graphene on SiC(0001) surfaces is studied using atomic force microscopy, Auger electron spectroscopy, electron diffraction, Raman spectroscopy, and electrical measurements. Starting from hydrogen-annealed surfaces, graphene formation by vacuum annealing is observed to begin at about 1150°C, with the overall step-terrace arrangement of the surface being preserved but with significant roughness (pit formation) on the terraces. At higher temperatures near 1250°C, the step morphology changes, with the terraces becoming more compact. At 1350°C and above, the surface morphology changes into relatively large flat terraces separated by step bunches. Features believed to arise from grain boundaries in the graphene are resolved on the terraces, as are fainter features attributed to atoms at the buried graphene/SiC interface.     

Preparation and structure of ultra-thin GaN (0001) layers on In0.11Ga0.89N-single quantum wells

Multiple surface reconstructions have been observed on ultra-thin GaN (0001) layers of 1–10 nm thickness, covering a 3 nm thick In_0.11Ga_0.89N single quantum well in a GaN matrix. Low energy electron diffraction patterns show (2×2) and (√3×√3)-R30° symmetries for samples annealed in nitrogen plasma, and (2×2), (3×3), (4×4), and (6×6) symmetries for samples overgrown with an additional monolayer-thin GaN film by molecular beam epitaxy under Ga-rich growth conditions. Photoelectron spectroscopy shows that the InGaN quantum wells and capping layers are stable for growth temperatures up to 760 °C, and do not show formation of indium or gallium droplets on the surface. The photoluminescence emission from the buried InGaN SQWs remains unchanged by the preparation process, demonstrating that the SQWs do not undergo any significant modification.     

Design and fabrication of RESURF MOSFETs on 4H-SiC(0001), (112~0), and 6H-SiC(0001)

Design and fabrication of lateral SiC reduced surface field (RESURF) MOSFETs have been investigated. The doping concentration (dose) of the RESURF and lightly doped drain regions has been optimized to reduce the electric field crowding at the drain edge or in the gate oxide by using device simulation. The optimum oxidation condition depends on the polytype: N/sub 2/O oxidation at 1300/spl deg/C seems to be suitable for 4H-SiC, and dry O/sub 2/ oxidation at 1250/spl deg/C for 6H-SiC. The average inversion-channel mobility is 22, 78, and 68 cm/sup 2//Vs for 4H-SiC(0001), (112~0), and 6H-SiC(0001) MOSFETs, respectively. RESURF MOSFETs have been fabricated on 10-/spl mu/m-thick p-type 4H-SiC(0001), (112~0), and 6H-SiC(0001) epilayers with an acceptor concentration of 1/spl times/10/sup 16/ cm/sup -3/. A 6H-SiC(0001) RESURF MOSFET with a 3-/spl mu/m channel length exhibits a high breakdown voltage of 1620 V and an on-resistance of 234 m/spl Omega//spl middot/cm/sup 2/. A 4H-SiC(112~0) RESURF MOSFET shows the characteristics of 1230 V-138 m/spl Omega//spl middot/cm/sup 2/.     

Theoretical study of cesium and oxygen activation processes on GaN (0001) surface

The structure properties and work function of reflection-mode GaN photocathodes are investigated by using first-principles calculation within density-function theory (DFT). Seven different GaN (0001) (1×1) surface models are used in this paper to simulate cesium and oxygen activation process. Before starting the surface models calculations, clean bulk GaN surface is first optimized, when compared with the models before optimization, the correctness of the calculations method is verified. Next, change of work function of different surface models caused by adsorption is calculated and analyzed, the results show that over-cesiuminizd atmosphere is not only benefit for work function declining but also conductive to the formation of negative electron affinity (NEA), the optimal ratio of Cs to O for activation is between 3:1 and 4:1, excess Cs or O modules increase the work function and undermine the photocathode. Then a series of experiments are performed to verify the calculation results. First of all, NEA GaN photocathode activation and evaluation system is established, “yo-yo” activation method is verified. Then, an activation experiment is performed on high quality p-type Mg-doped reflection-mode GaN substrate grown by metal organic chemical vapor deposition (MOCVD), the photocurrent is controlled and monitored by multi-information on-line monitoring system, the results are consistent with our calculation models. Finally, combined with the data provided by Stanford University, schematic energy band variation of the GaN photocathode after only-Cs and Cs/O activations is given. Our result opens the possibility to engineer the activation properties of GaN photocathode.     

Schottky barrier height studies of Au/4H-SiC(0001) using photoemission and synchrotron radiation

The Schottky barrier height (SBH) of Au on 4H-SiC(0001) has been studied using photoemission and synchrotron radiation. The Au was deposited in-situ on clean and well-ordered √3×√3 R30° reconstructed SiC surfaces prepared by in situ heating at ∼950°C. The SBH was determined from the shift observed in the Si 2p core level, in addition to the initial band bending determined for the clean surface. The results were compared with values obtained by electrical, capacitance-voltage (C-V), and current-voltage (I-V) characterization methods. A favorable comparison between the three independent, SBH determination methods was found.     

Nucleation and growth behavior for GaN grown on (0001) sapphire via multistep growth approach

Formation and coalescence of GaN truncated three dimensional islands (TTIs) on (0001) sapphire are observed during growth of GaN using a close spaced metalorganic chemical vapor deposition reactor. To encourage formation of TTIs to occur uniformly over the buffer layer, growth conditions are chosen under which thermal desorption and/or mass transport of the buffer layer can be suppressed. During coalescence of TTIs, growth conditions that favor higher desorption of species on the GaN (0001) surface and incorporation on other planes are beneficial. Therefore, changing the growth conditions as the growth mode changes is effective to obtain both good crystallinity and flat surface morphology.     

采用铟束流保护下的调制中断生长技术改善(0001)GaN表面形貌

使用分子束外延方法,采用In束流保护下的调制中断生长技术,在(0001)蓝宝石衬底上生长GaN薄膜.利用反射式高能电子衍射(RHEED)对生长进行实时监控,并用扫描电子显微镜(SEM)、原子力显微镜(AFM)和X射线衍射(XRD)法对GaN外延薄膜的表面形貌和晶体质量进行分析.实验结果表明:采用该技术生长的Ga极性GaN外延薄膜中的晶体表面残留Ga滴密度大大降低,GaN外延薄膜的表面形貌得到改善,其均方根粗糙度(RMS)由3nm降低为0.6nm,同时XRD双晶摇摆曲线测试的结果表明,GaN外延层的晶格质量也得到改善.     

Cd_(1-x)Zn_xTe(x=0.04)表面处理的低温拉曼散射和电学特性研究

测量了几种不同处理的 Cd1 - x Znx Te(x=0 .0 4)表面的傅里叶变换拉曼散射光谱和电流 -电压 (I- V)特性 .通过分析拉曼光谱反 Stokes分量 ,并与表面 I- V特性进行比较 ,结果表明与表面处理相联系的晶格声子的行为反映了表面完整性的变化 ,Te沉淀是影响表面质量的关键因素 ,并对有关表面处理方法的实际应用进行了讨论 .     

Properties of phosphorus-doped (Zn,Mg)O thin films and device structures

The properties of phosphorus-doped (Zn,Mg)O polycrystalline and epitaxial thin films are described. The as-deposited (Zn,Mg)O:P films are n type with high electron carrier density. High resistivity is induced in the films with moderate temperature annealing, which is consistent with suppression of the donor state and activation of the deep acceptor. The resistivity of the as-deposited and annealed film is an order of magnitude higher than similar samples with no Mg, consistent with a shift in the conduction band edge relative to the defect-related donor state. The capacitance-voltage characteristics of annealed metal/insulator/P-doped (Zn,Mg)O structures in which the (Zn,Mg)O is polycrystalline exhibit p-type polarity. In addition, multiple polycrystalline devices comprising n-type ZnO/P-doped (Zn,Mg)O thin-film junctions display asymmetric I–V characteristics that are consistent with the formation of a p-n junction at the interface, although the ideality factor is anomalously high.     

Electronic structure of the Zn(O,S)/Cu(In,Ga)Se2 thin‐film solar cell interface

The electronic band alignment of the Zn(O,S)/Cu(In,Ga)Se₂ interface in high‐efficiency thin‐film solar cells was derived using X‐ray photoelectron spectroscopy, ultra‐violet photoelectron spectroscopy, and inverse photoemission spectroscopy. Similar to the CdS/Cu(In,Ga)Se₂ system, we find an essentially flat (small‐spike) conduction band alignment (here: a conduction band offset of (0.09 ± 0.20) eV), allowing for largely unimpeded electron transfer and forming a likely basis for the success of high‐efficiency Zn(O,S)‐based chalcopyrite devices. Furthermore, we find evidence for multiple bonding environments of Zn and O in the Zn(O,S) film, including ZnO, ZnS, Zn(OH)₂, and possibly ZnSe. Copyright © 2016 John Wiley & Sons, Ltd.     

Study of the atomically clean InSe(0001) surface by X-ray photoelectron spectroscopy

The (0001) surface of layered InSe semiconductor crystals is studied experimentally using X-ray photoelectron spectroscopy and theoretically within the context of the method of the electron density functional with periodic boundary conditions. It was found that the structure of the surface layer of atoms and their state has much in common with the corresponding structure and state in the volume. The InSe(0001) surface is resistant to long exposure to air, which makes this material promising for applications as a standard for composition analysis when using electron spectroscopy.     

Interface Analysis of Cu(In,Ga)Se2 and ZnS Formed Using Sulfur Thermal Cracker

We analyzed the interface characteristics of Zn‐based thin‐film buffer layers formed by a sulfur thermal cracker on a Cu(In,Ga)Se₂ (CIGS) light‐absorber layer. The analyzed Zn‐based thin‐film buffer layers are processed by a proposed method comprising two processes — Zn‐sputtering and cracker‐sulfurization. The processed buffer layers are then suitable to be used in the fabrication of highly efficient CIGS solar cells. Among the various Zn‐based film thicknesses, an 8 nm–thick Zn‐based film shows the highest power conversion efficiency for a solar cell. The band alignment of the buffer/CIGS was investigated by measuring the band‐gap energies and valence band levels across the depth direction. The conduction band difference between the near surface and interface in the buffer layer enables an efficient electron transport across the junction. We found the origin of the energy band structure by observing the chemical states. The fabricated buffer/CIGS layers have a structurally and chemically distinct interface with little elemental inter‐diffusion.     

Be掺杂对ZnO电子结构和光学性质的影响

基于密度泛函理论(DFT)第一性原理计算了Zn1-xBexO化合物的电子结构和光学性质.计算结果表明Zn1-xBexO带隙随掺杂浓度的增加而变大.这种现象主要是由于价带顶O2p随掺杂量x的增加几乎保持不变,而Zn4s随掺杂最x的增加向高能端移动.光学介电函数虚部计算结果表明:在2.0,6.76eV位置随掺杂浓度的增加蜂形逐渐消失,是由于Be替代Zn导致Zn3d电子态逐渐减少所致;而9.9eV峰彤逐渐增强,是由于逐渐形成的纤锌矿结构Beo的价带O2p到导带Be2s的跃迁增加所致.     

Be掺杂对ZnO电子结构和光学性质的影响

基于密度泛函理论（DFT）第一性原理计算了Zn1-xBexO化合物的电子结构和光学性质. 计算结果表明Zn1-xBexO带隙随掺杂浓度的增加而变大. 这种现象主要是由于价带顶O2p随掺杂量x的增加几乎保持不变,而Zn4s随掺杂量x的增加向高能端移动. 光学介电函数虚部计算结果表明：在2.0, 6.76eV位置随掺杂浓度的增加峰形逐渐消失,是由于Be替代Zn导致Zn3d电子态逐渐减少所致;而9.9eV峰形逐渐增强,是由于逐渐形成的纤锌矿结构BeO的价带O2p到导带Be2s的跃迁增加所致.