GaN及其Ga空位的电子结构

用团簇埋入自洽计算法对宽禁带半导体GaN的电子结构进行了自旋极化的、全电子、全势场的从头计算,得到了与实验值符合的GaN晶体禁带宽度以及价带中N2p带、N2s带和Ga3d带之间的相对位置.在此基础上Ga空位计算(无晶格畸变)显示,Ga空位周围的费米面显著高于正常GaN晶格的费米面.因此Ga空位周围N原子的处于费米面上的2p电子很易被激发成正常晶格处的传导电子 关键词： GaN 电子结构 团簇埋入自洽计算     

Ga空位对GaN:Gd体系磁性影响的第一性原理研究

采用基于密度泛函理论的第一性原理结合投影缀加平面波的方法,研究了GaN中Ga被稀土元素Gd替代以及与邻近N或Ga空位组成的缺陷复合体的晶格常数、磁矩、形成能以及电子结构等性质.结果发现,Gd掺杂GaN后禁带宽度变窄,由直接带隙半导体转为间接带隙半导体;单个Gd原子掺杂给体系引入大约7μB的磁矩;在Gd与Ga或N空位形成的缺陷复合体系中,N空位对引入磁矩贡献很小,大约0.1μB,Ga空位能引入约2μB的磁矩.随着Ga空位的增多,体系总磁矩增加,但增加量与Ga空位的位置分布密切相关.当Ga空位分布较为稀疏时,Gd单原子磁矩受影响较小,但当Ga空位距离较近且倾向于形成团簇时,Gd单原子磁矩明显增加,而且这种情况下空位形成能也最小.     

GaN厚膜中的质子辐照诱生缺陷研究

本文采用正电子湮没谱研究质子辐照诱生缺陷, 实验发现: 能量为5 MeV的质子辐照在GaN厚膜中主要产生的是Ga单空位, 没有双空位或者空位团形成; 在10 K测试的低温光致发光谱中, 带边峰出现了"蓝移", 辐照后黄光带的发光强度减弱, 说明黄光带的起源与Ga空位(V_Ga)之间不存在必然的联系, 各激子发光峰位置没有改变, 仅强度随质子注量发生变化; 样品(0002)面双晶XRD扫描曲线的半峰宽在辐照后明显增大, 说明质子辐照对晶格的周期性产生了影响, 薄膜晶体质量下降. 关键词： GaN 缺陷 质子 辐照     

PECVD法制备高结晶GaN薄膜及其光电响应性能

采用一种简单、绿色、低成本的等离子增强化学气相沉积(PECVD)法,在950℃下成功制备了高结晶质量的GaN薄膜.为了提高GaN薄膜结晶质量和弄清GaN薄膜光响应机制,研究了GaN缓冲层制备温度对GaN薄膜结晶质量和光电性能的影响.研究表明,随着GaN缓冲层制备温度的增加,GaN薄膜的结晶质量先提高后降低,在缓冲层温度为875℃时,结晶质量最高,此时计算得出的总位错密度为9.74×10~9 cm^-2,载流子迁移率为0.713 cm~2/(V·s).经过退火后,GaN薄膜的总位错密度降低到7.38×10~9 cm^-2,载流子迁移率增大到43.5 cm~2(V·s),此时GaN薄膜光响应度为0.20 A/W,光响应时间为15.4 s,恢复时间为24 s,可应用于紫外光探测器.通过Hall测试和X射线光电子能谱仪分析得出,GaN薄膜内部存在着N空位、Ga空位或O掺杂,它们作为深阱能级束缚和复合光生电子和空穴,使得光响应度与偏压呈抛物线关系;另外,空位和O掺杂形成的深阱能级也是导致GaN薄膜的光电流响应和恢复缓慢的根本原因.     

离子注入n型GaN光致发光谱中宽黄光发射带研究

利用离子注入方法和光致发光技术系统研究了注入离子对n型GaN宽黄光发射带的影响.实验采用的注入离子为：N，O，Mg，Si和Ga，剂量分别为10¹³，10¹⁴，10¹⁵和10¹⁶/cm²，注入温度为室温.注入后的样品在900 ℃流动氮气环境下进行热退火，退火时间为10 min，并对退火前后的样品分别进行室温光致发光测量.通过实验数据的分析，独立提出了提取注入离子对晶体黄光发光特性影响的半经验模型.利用该模型导出的公式，可以确定注入的N，O，Ga，Mg和Si离子对黄光发射带的影响随注入剂量的变化关系以及该影响的相对强弱. 关键词： 氮化镓 光致发光谱 离子注入     

非掺杂GaN的黄光发射模型确定

提出了一种新的光谱———吸收归一化光致发光激发谱,并用这种光谱研究了非掺杂GaN的黄光发射.实验上首次直接测量出了黄光发射的初始态的共振吸收峰位,从而解决了长期争论的有关黄光发射的发光模型问题 关键词： GaN薄膜 黄光发射 吸收归一化光致发光激发谱     

热退火对Mn离子注入非故意掺杂GaN微结构、光学及磁学特性的影响

通过Mn离子注入非故意掺杂GaN外延层制备了GaN:Mn薄膜,并研究了退火温度对GaN:Mn薄膜的微结构、光学及磁学特性的影响.对不同退火温度处理后的GaN:Mn薄膜的拉曼谱测试显示,出现了由与离子注入相关的缺陷的局域振动(LV)和(Ga,Mn)N中Mn离子的LV引起的新的声子模.在GaN:Mn薄膜的光致发光谱中观察到位于2.16,2.53和2.92 eV处的三个新发光峰(带),其中位于2.16 eV处的新发光带不能排除来自Mn相关辐射复合的贡献.对GaN:Mn薄膜的霍尔测试显示,退火处理后样品表现出n型体材料特征.对GaN:Mn薄膜的振动样品磁强计测试显示,GaN:Mn薄膜具有室温铁磁性,其强弱受Mn相关杂质带中参与调节磁相互作用的空穴浓度的影响.     

GaN垒层厚度渐变的双蓝光波长发光二极管

针对单蓝光波长芯片与Y3Al5O12∶Ce3+黄光荧光粉封装白光发光二极管存在显色性不足的问题,提出了采用双蓝光波长芯片激发Y3Al5O12∶Ce3+黄光荧光粉实现高显色性白光发射法,并分析了其可行性.利用金属有机化学气相沉积系统在(0001)蓝宝石衬底上顺序生长两个In0.18Ga0.82N/GaN量子阱和两个In0.12Ga0.88N/GaN量子阱的双蓝光波长发光二极管,并对不同GaN垒层厚度的双蓝光波长发光二极管的光电性能进行分析,结果表明沿n-GaN到p-GaN方向减小GaN垒层厚度能实现双蓝光发射,并有较好的发光效率.交流阻抗谱结果显示相关双蓝光波长发光二极管可以用一个电阻Rp与电容Cp并联后与一个Rs串联电路来模拟,GaN垒层变化能调节并联电阻和电容,对串联电阻没有影响.此外,基于垒层减小的双蓝光波长芯片激发Y3Al5O12∶Ce3+荧光粉实现了高显色指数的白光发射.     

低速高电荷态重离子辐照的GaN晶体表面X射线光电子能谱研究

利用低速高电荷态Xeq+和Pbq+离子对在蓝宝石衬底上生长的GaN晶体膜样品进行辐照,并利用X射线光电子能谱(XPS)对样品表面化学组成和元素化合态进行了分析.结果表明,高电荷态离子对样品表面有显著的刻蚀作用;经高电荷态离子辐照的GaN样品表面氮元素贫乏而镓元素富集;随着入射离子剂量和所携带电荷数的增大,Ga—Ga键相对含量增大;辐照后,GaN样品中Ga—Ga键对应的Ga3d5/2电子的束缚能偏小,晶格损伤使内层轨道电子束缚能向低端方向偏移.     

Ga2O3/GaN/蓝宝石模板上β-Ga2O3薄膜的生长

为获得高质量的β-Ga2O3薄膜,将c面蓝宝石上生长的GaN薄膜进行高温氧化制成了Ga2O3/GaN/蓝宝石模板,进而在模板上利用金属有机化学气相沉积(MOCVD)工艺进行了β-Ga2O3薄膜的同质外延。通过X射线衍射仪、原子力显微镜、场发射扫描电子显微镜等方法对样品的晶体结构、表面形貌等性质进行测试与分析。结果表明,该方法获得的β-Ga2O3薄膜晶体质量受GaN薄膜氧化效果与MOCVD工艺条件等因素影响较大。通过优化实验条件,得到了质量较高的β-Ga2O3薄膜。与蓝宝石上或GaN薄膜上异质外延得到的β-Ga2O3薄膜相比,薄膜的晶体质量明显提高。通过对比不同样品的晶体质量、表面形貌和制备过程,发现该方法成功地将β-Ga2O3薄膜在蓝宝石衬底或GaN/蓝宝石模板上异质外延转化为了Ga2O3/GaN/蓝宝石模板上的同质外延,有效地减小了β-Ga2O3薄膜和蓝宝石、GaN之间较大的晶格失配和热失配,有利于提高β-Ga2O3薄膜的晶体质量。     

Optical properties of laterally overgrown GaN pyramids grown on (1 1 1) silicon substrate

Optical properties of laterally overgrown GaN hexagonal pyramids on (1 1 1) Si substrates are studied by cathodoluminescence (CL) spectroscopy and mapping techniques. The results are compared with structural properties obtained by scanning and transmission electron microscopic techniques. To clarify the origin of the bandedge and yellow-band emissions from the GaN pyramids, wavelength-resolved CL properties of normal and cleaved GaN pyramids are investigated in the top and/or cross-sectional view configurations. The cross-sectional view CL images for cleaved GaN pyramid samples show significant differences between the overgrown areas on top of the mask and the coherently grown regions over the windows. A precise reverse (identical) contrast between bandedge (yellow-band) emission intensity and threading dislocation density is observed by comparing the cross-sectional view CL and transmission electron microscopic images. It is demonstrated that a strong correlation exists between structural defects and optical properties in laterally overgrown GaN hexagonal pyramids.     

GaN nucleation on (0 0 0 1)-sapphire via ion-induced nitridation of gallium

The growth of epitaxial GaN films on (0 0 0 1)-sapphire has been investigated using X-ray photoelectron spectroscopy (XPS) and low energy electron diffraction (LEED). In order to investigate the mechanism of the growth in detail, we have focused on the nitridation of pre-deposited Ga layers (droplets) using ion beam-assisted molecular beam epitaxy (IBA-MBE). Comparative analysis of XPS core-level spectra and LEED patterns reveals, that nitride films nucleate as epitaxial GaN islands. The wetting of the surface by GaN proceeds via reactive spreading of metallic Ga, supplied from the droplets. The discussed growth model confirms, that excess of metallic Ga is beneficial for GaN nucleation.     

Wetting and reactive thin film growth

The wetting process of the GaN(0 0 0 1) surface by Ga is studied in situ in real time by low energy electron microscopy and diffraction. The reversibility of the phase transitions in the wetting layer is examined in detail and the consequences for the growth of GaN layers by reaction with ammonia and activated nitrogen are discussed. It is concluded that the growth of smooth (0 0 0 1)-terminated GaN layers may be considered as quasi-liquid phase epitaxy.     

First-principles studies of interlayer exchange coupling in (Ga,Co)N-based diluted magnetic semiconductor multilayers

Interlayer exchange coupling (IEC) in a series model diluted magnetic semiconductor (DMS) multilayer consisting of two magnetic (Ga, Co)N layers separated by non-doped or Mg-doped GaN non-magnetic spacers has been studied by first-principles calculations. The effects of the spacer thickness and hole doping to the IEC were studied systematically. It is observed that (1) for the GaN spacers without Mg doping, the IEC between two magnetic (Ga, Co)N layers is always ferromagnetic, which is clarified as an intrinsic character of the Ruderman–Kittle–Kasuya–Yoshida (RKKY) interaction based on a two-band model for a gapped system; and (2) for the Mg-doped GaN spacers, the IEC is tunable from ferromagnetic to antiferromagnetic by varying the spacer’s thickness and the dopant’s site.     

Intrinsic relationship between photoluminescence and electrical characteristics in modulation Fe-doped AlGaN/GaN HEMTs

The photoluminescence(PL) and electrical properties of Al GaN/GaN high electron mobility transistors(HEMTs) with different Fe doping concentrations in the GaN buffer layers were studied. It was found that, at low Fe doping concentrations,the introduction of Fe atoms can result in a downward shift of the Fermi level in the GaN buffer layer, since the Fe atoms substitute Ga and introduce an Fe_(Ga)~(3+/2+) acceptor level. This results in a decrease in the yellow luminescence(YL) emission intensity accompanied by the appearance of an infrared(IR) emission, and a decrease in the off-state buffer leakage current(BLC). However, a further increase in the Fe doping concentration will conversely result in the upward shift of the Fermi level due to the incorporation of O donors under the large flow rate of the Fe source. This results in an increased YL emission intensity accompanied by a decrease in the IR emission intensity, and an increase in the BLC. The intrinsic relationship between the PL and BLC characteristics is expected to provide a simple and effective method to understand the variation of the electrical characteristic in the modulation Fe-doped HEMTs by optical measurements.     

气相传输平衡技术制备LiGaO2薄膜

为获得与GaN薄膜晶格失配小的衬底材料,报道了利用气相传输平衡技术(VTE)在(100)-βGa2O3单晶衬底上制备高度[001]取向LiGaO2薄膜的方法。经过X射线衍射分析表明得到的薄膜是由单相LiGaO2组成。利用扫描电镜(SEM)观察表面形貌,发现经气相传输平衡技术处理得到的薄膜表面形貌主要受温度的影响,表面晶粒尺寸随温度上升而增大。而X射线衍射测试表明随着温度上升,所得到的薄膜也从多晶向单晶化转变。在经过退火处理后,通过观察吸收谱发现LiGaO2薄膜中产生色心,并且色心的种类与温度有关。表明可以通过气相传输平衡技术技术,在远低于LiGaO2熔点的温度制备外延GaN用(001)LiGaO2∥(100)β-Ga2O3复合衬底。     

MFM and Raman studies in PEMBE-grown (Ga,Mn)N thin films showing room-temperature ferromagnetism

We present the room-temperature ferromagnetism in the (Ga,Mn)N films grown on n-type GaN templates by plasma-enhanced molecular beam epitaxy for semiconductor spintronic device applications. Despite of the possible interface effects between the (Ga,Mn)N layers and n-type GaN templates, the (Ga,Mn)N films were found to exhibit the ferromagnetic ordering above room temperature. The magnetic force microscopy identified the magnetic domains with the different magnetic orientations at room temperature, indicating the existence of the ferromagnetic long-range ordering. In Raman spectra, an additional peak at 578 cm⁻¹ was observed, which is attributed to the local vibration of substitutional Mn in the (Ga,Mn)N lattice. Therefore, it is believed that the ferromagnetic ordering in (Ga,Mn)N is due to the carrier-mediated Ruderman-Kittle-Kasuya-Yosida interaction.     

Intrinsic magnetism induced by vacancy in GaN

We performed total energy electronic-structure calculations based on DFT that clarify the intrinsic magnetism of undoped GaN. The magnetism is due to Ga, instead of N, vacancies. The origin of magnetism arises from the unpaired 2p electrons of N surrounding Ga vacancy. At a vacancy concentration of 5.6%, the ferromagnetic state is 181 meV lower than the antiferromagnetic state. Our findings are helpful to gain a more novel understanding of structural and spin properties of Ga vacancy in wurtzite GaN and also provide a possible way to generate magnetic GaN by introducing Ga vacancies instead of doping with transition-metal atoms.     

等离子增强原子层沉积低温生长GaN薄膜

采用等离子增强原子层沉积技术在低温下于单晶硅衬底上成功生长了Ga N多晶薄膜,利用椭圆偏振仪、低角度掠入射X射线衍射仪、X射线光电子能谱仪对薄膜样品的生长速率、晶体结构及薄膜成分进行了表征和分析.结果表明,等离子增强原子层沉积技术生长Ga N的温度窗口为210—270?C,薄膜在较高生长温度下呈多晶态,在较低温度下呈非晶态;薄膜中N元素与大部分Ga元素结合成N—Ga键生成Ga N,有少量的Ga元素以Ga—O键存在,多晶Ga N薄膜含有少量非晶态Ga_2O_3.