GaN薄膜的热导率模型研究

准确预测GaN半导体材料的热导率对GaN基功率电子器件的热设计具有重要意义.本文基于第一性原理计算和经典Debye-Callaway模型,通过分析和完善Debye-Callaway模型中关于声子散射率的子模型,建立了用于预测温度、同位素、点缺陷、位错、薄膜厚度、应力等因素影响的GaN薄膜热导率的理论模型.具体来说,对声子间散射项和同位素散射项基于第一性原理计算数据进行了系数拟合,讨论了两种典型的处理点缺陷和位错散射的散射率模型,引入了应用抑制函数描述的各向异性边界散射模型,并对应力的影响进行了建模.热导率模型预测值和文献中典型实验数据的对比表明,基于第一性原理计算数据拟合的热导率模型和实验测量值总体符合较好,300 K温度附近热导率数值及其随温度变化的趋势存在20%左右的偏差.结合实验数据和热导率模型进一步确认了第一性原理计算会高估同位素散射的影响,给出了薄膜热导率随薄膜厚度、位错面密度、点缺陷浓度的具体变化关系,同位素和缺陷散射会减弱薄膜热导率的尺寸效应,主要体现在100 nm附近及更小的厚度范围.     

δ掺杂对Si衬底GaN蓝光LED外延膜性能的影响研究

用X射线衍射方法通过不同晶面的ω扫描测试,分析了Si衬底GaN蓝光LED外延膜中n-型层δ掺杂Si处理对外延膜结晶性能的影响。报道了Si衬底GaN外延膜系列晶面的半峰全宽(FWHM)值。通过使用晶格旋转(Lattice-rotation)模型拟合,计算出样品的螺位错密度和刃位错密度。结果表明,δ掺杂Si处理后生长出的样品螺位错密度增大、刃位错密度减小,总位错密度有所减小。通过对未经δ掺杂处理和δ掺杂处理的GaN外延膜相应ω-2θ扫描半峰全宽值的比较,发现δ掺杂Si处理后生长出的样品非均匀应变较大;相应样品的LED电致发光光谱I、-V特性曲线显示δ掺杂后样品性能变好。     

非故意掺杂GaN薄膜方块电阻与载气中N2比例关系研究

利用金属有机气相外延方法研究了非故意掺杂GaN薄膜的方块电阻与高温GaN体材料生长时载气中N2比例的关系.研究发现,随着载气中N2比例的增加,GaN薄膜方块电阻急剧增加.当载气中N2比例为50%时,GaN薄膜方块电阻达1.1×108Ω/□,且GaN表面平整,均方根粗糙度为0.233 nm.二次离子质谱分析发现,载气中N2比例不同的样品中碳、氧杂质含量无明显差别.随着载气中N2比例的增加,GaN材料中螺型位错相关缺陷密度无明显变化,而刃型位错相关缺陷密度明显增加.结果表明,刃型位错的受主补偿作用是导致GaN薄膜方块电阻变化的主要原因.     

稳态法测量冰的导热系数

基于保护热板法原型,使用干冰-乙醇和乙二醇混合浴制造不同温度稳定低温环境之间的传热代替传统的加热传热,设计了冰的导热系数测量装置,在较大的温度范围(-70～-30℃)内实现了冰的导热系数稳定可靠的测量.同时充分借助电子式温度计高效测量数据,测得了冰在不同温度下和含有不同杂质情况下的导热系数变化规律,实验结果与参考值符合较好.利用杂质对冰的导热系数的影响规律,可以按需求调节冰的导热系数.     

TP—801单板计算机在测定不良导体导热系数实验中的应用

导热系数是表征物质传热性能的物理量,研究材料结构变化和所含杂质对导热系数值的影响,往往需要由实验测定材料的导热系数,本文介绍一种用微机测量不良导体的导热系数的实验方法,这种方法充分利用计算机采集数据迅速,以及处理数据功能较强的特点,使实验手段新颖,实验内容更加丰富。既能监视温度的稳定性,又能在稳态情况下实现多次快速测量,因而大大减少了学生不必要的重复性劳动,提高了实验效率,增加了测量结果的可重复性和稳定性,提高了测量精度。     

蓝宝石衬底上RF-MBE生长的GaN中的极性控制和螺旋位错的降低

近年来人们报道了用MBE方法生长GaN的飞速进展,利用RF-MBE方法可以获得高的GAN生长速率和高的电子迁移率.本文讨论了用RF-MBE方法在蓝宝石衬底上生长GaN过程中的极性控制和螺旋位错的降低.在充分氮化的蓝宝石衬底上直接生长GaN,使GaN的极性控制为N-极性,并用高温生长的AlN核化层实现GaN的Ga-极性.对于N-和Ga-极性的GaN这两种情况,高温生长的AlN中间迭层的引入,可以有效地抑制螺旋位错的扩散.位错的降低使GaN的室温电子迁移率得到提高,对于Ga-极性的GaN,其值为332cm²/V·s;而对于N-极性的GaN,其值为688cm²/V·s.     

位错形态与GaN外延薄膜电阻率之间的关系

利用金属有机化学气相沉积（MOCVD）,通过改变生长过程中成核层退火阶段的反应室压力,在蓝宝石衬底上制得了不同阻值的GaN外延薄膜。利用原子力显微镜（AFM）、X射线衍射（XRD）和透射电子显微镜（TEM）对所生长的GaN薄膜的表面形貌、位错密度和位错形态进行了研究。结果表明,GaN的电阻率与位错形态之间存在密切联系,由此建立了模型来解释两者之间的关系。由于刃型位错附近存在负电荷,因此可为电子提供传导通道。在低阻GaN中,绝大多数位错发生弯曲和相互作用,在平行于基底方向上形成负电荷的导通通道,GaN薄膜的电导率较高。在高阻GaN中,位错生长方向垂直于基底,负电荷很难在平行于基片方向上传导,GaN薄膜的电导率很低,由此得到高阻GaN。     

GaN外延层中的缺陷研究

采用阴极射线致发光法观察金属有机物汽相外延法生长的具有不同表面形貌的GaN外延层中黄色发光带的强度分布.结果表明六角金字塔形表面形貌对发光强度分布的测量有很大影响.测量和比较表面镜面加工样品的黄色发光带强度分布、原子序数衬度和X射线波谱发现,黄色发光带的强度在含有O和C等杂质缺陷附近较强.高分辨透射电子显微镜观察表明,杂质缺陷区的晶格结构不同于GaN基质,以及位错和裂缝等由应力引起的缺陷.认为此类缺陷可能是生长过程中,杂质在结晶小丘合并处的V形凹角中的沉积所产生. 关键词：     

GaxIn1-xN输运性质的温度特性的数值模拟

利用多粒子Monte Carlo方法对含位错GaxIn1-x材料的输运性质进行了研究,计算表明材料的漂移速度随温度升高而降低,InN的漂移速度的温度特性优于GaN.GaN和InN的迁移率在相同温度范围内随温度的变化趋势不同,同时位错密度对材料迁移率的温度特性影响较大.     

GaN中与C和O有关的杂质能级第一性原理计算

用局域密度泛函线性丸盒轨道大型超原胞方法(32个原子),对纯纤锌矿结构的GaN用调节计算参数(如原子球与“空球”的占空比)在自洽条件下使Eg的计算值(323eV)接近实验值(35eV).然后以原子替代方式自洽计算杂质能级在Eg中的相对位置.模拟计算了六角结构GaN中自然缺陷以及与C和O有关的杂质能级位置,包括其复合物.计算结果表明,单个缺陷如镓空位VGa、氮空位VN、氧代替氮ON、炭代替氮CN、炭代替镓CGa等与已有的计算结果基本一致.计算结果表明杂质复合物会导致单个杂质能级位置的相对变化.计算了CNON,CGaCN,CNOV和CGaVGa,其中CNON分别具有深受主与浅施主的特征,是导致GaN黄光的一种可能的结构. 关键词： GaN 杂质能级 电子结构     

Dislocation Reduction Mechanisms in Gallium Nitride Films Grown by Canti-Bridge Epitaxy Method

By using the special maskless V-grooved c-plane sapphire as the substrate, we previously developed a novel GaN LEO method, or the so-called canti-bridge epitaxy （CBE）, and consequently wing-tilt-free GaN films were obtained with low dislocation densities, with which all the conventional difficulties can be overcome [J. Vacuum Sci. Technol. B 23 （2005） 2476]. Here the evolution manner of dlslocations in the CBE GaN films is investigated using transmission electron microscopy. The mechanisms of dislocation reduction are discussed. Dislocation behaviour is found to be similar to that in the conventional LEO GaN films except the enhanced dislocation-combination at the coalescence boundary that is a major dislocation-reduction mechanism for the bent horizontal-propagating dislocations in the CBE GaN films. The enhancement of this dislocation-combination probability is believed to result from the inclined shape and the undulate morphology of the sidewalls, which can be readily obtained in a wide range of applicable film-growth conditions during the GaN CBE process. Further development of the GaN CBE method and better crystal-quality of the GaN film both are expected.     

Plateau in the temperature dependence of the thermal conductivity of solid hydrogen containing heavy isotopic neon impurities at ultimately low concentrations

The thermal conductivity of solid hydrogen with 0.0001–0.0002 at. % Ne in the form of equilibrium samples grown at a low rate after remelting is investigated in the temperature range 1.5–10.0 K. It is demonstrated that the temperature dependence of the thermal conductivity for the samples containing neon at concentrations considerably lower than the limiting solubility of the heavy impurity exhibits a symmetric plateau. This behavior of the temperature dependence of the thermal conductivity differs qualitatively from the previously observed resonance minimum in the temperature dependence of the thermal conductivity for desublimated samples. A relaxation model is proposed for explaining the observed effect. According to this model, the plateau is explained by the formation of linear impurity structures that are located along dislocation lines and considerably enhance phonon scattering by dislocation cores. The density of linear impurity structures is estimated. The influence of these structures on the thermal conductivity is compared with the corresponding effect of uniformly distributed individual neon atoms in solid hydrogen.     

Thermal conductivity, dislocation density and GaN device design

The performance of high power transistor devices is intimately connected to the substrate thermal conductivity. In this study, the relationship between thermal conductivity and dislocation density is examined using the 3 omega technique and free standing HVPE GaN substrates. Dislocation density is measured using imaging cathodoluminescence. In a low dislocation density regime below 10⁵ cm⁻², the thermal conductivity appears to plateau out near 230 W/K m and can be altered by the presence of isotopic defects and point defects. For high dislocation densities the thermal conductivity is severely degraded due to phonon scattering from dislocations. These results are applied to the design of homoepitaxially and heteroepitaxially grown HEMT devices and the efficiency of heat extraction and the influence of lateral heat spreading on device performance are compared.     

Influence of surface scattering on the thermal properties of spatially confined GaN nanofilm

Gallium nitride(GaN), the notable representative of third generation semiconductors, has been widely applied to optoelectronic and microelectronic devices due to its excellent physical and chemical properties. In this paper, we investigate the surface scattering effect on the thermal properties of GaN nanofilms. The contribution of surface scattering to phonon transport is involved in solving a Boltzmann transport equation(BTE). The confined phonon properties of GaN nanofilms are calculated based on the elastic model. The theoretical results show that the surface scattering effect can modify the cross-plane phonon thermal conductivity of GaN nanostructures completely, resulting in the significant change of size effect on the conductivity in GaN nanofilm. Compared with the quantum confinement effect, the surface scattering leads to the order-of-magnitude reduction of the cross-plane thermal conductivity in GaN nanofilm. This work could be helpful for controlling the thermal properties of Ga N nanostructures in nanoelectronic devices through surface engineering.     

Comprehensive study of blue and green multi-quantum-well light-emitting diodes grown on conventional and lateral epitaxial overgrowth GaN

Growths of blue and green multi-quantum wells (MQWs) and light-emitting diodes (LEDs) are realized on lateral epitaxial overgrowth (LEO) GaN, and compared with identical structures grown on conventional GaN. Atomic force microscopy is used to confirm the significant reduction of dislocations in the wing region of our LEO samples before active-region growth. Differences between surface morphologies of blue and green MQWs are analyzed. These MQWs are integrated into LEDs. All devices show a blue shift in the electroluminescence (EL) peak and narrowing in EL spectra with increasing injection current, both characteristics attributed to the band-gap renormalization. Green LEDs show a larger EL peak shift and a broader EL spectrum due to larger piezoelectric field and more indium segregation in the MQWs, respectively. Blue LEDs on LEO GaN show a higher performance than those on conventional GaN; however, no performance difference is observed for green LEDs on LEO GaN versus conventional GaN. The performance of the green LEDs is shown to be primarily limited by the active layer growth quality.     

Effects of surface charges on phonon properties and thermal conductivity in GaN nanofilms

Surface charges can modify the elastic modulus of nanostructure, leading to the change of the phonon and thermal properties in semiconductor nanostructure. In this work, the influence of surface charges on the phonon properties and phonon thermal conductivity of GaN nanofilm are quantitatively investigated. In the framework of continuum mechanics,the modified elastic modulus can be derived for the nanofilm with surface charges. The elastic model is presented to analyze the phonon properties such as the phonon dispersion relation, phonon group velocity, density of states of phonons in nanofilm with the surface charges. The phonon thermal conductivity of nanofilm can be obtained by considering surface charges. The simulation results demonstrate that surface charges can significantly change the phonon properties and thermal conductivity in a GaN nanofilm. Positive surface charges reduce the phonon energy and phonon group velocity but increase the density of states of phonons. The surface charges can change the size and temperature dependence of phonon thermal conductivity of GaN nanofilm. Based on these theoretical results, one can adjust the phonon properties and temperature/size dependent thermal conductivity in GaN nanofilm by changing the surface charges.     

Macroscopic polarization and thermal conductivity of GaN

We theoretically investigated the effect of macroscopic polarization (sum of spontaneous and piezoelectric polarization) on the thermal conductivity of wurtzite GaN. Macroscopic polarization contributes to the effective elastic constant of the GaN and thus modifies the phonon group velocity. We used the revised phonon velocity to estimate the Debye frequency and temperature. Different phonon scattering rates were calculated as functions of the phonon frequency. The thermal conductivity of GaN was estimated using revised parameters such as the phonon velocity and phonon relaxation rate. The revised thermal conductivity at room temperature increased from 250 to 279 W m⁻¹ K⁻¹ due to macroscopic polarization. The method we developed can be used for thermal budget calculations for GaN optoelectronic devices.     

Determination of the LO phonon energy by using electronic and optical methods in AlGaN/GaN

The longitudinal optical (LO) phonon energy in AlGaN/GaN heterostructures is determined from temperature-dependent Hall effect measurements and also from Infrared (IR) spectroscopy and Raman spectroscopy. The Hall effect measurements on AlGaN/GaN heterostructures grown by MOCVD have been carried out as a function of temperature in the range 1.8-275 K at a fixed magnetic field. The IR and Raman spectroscopy measurements have been carried out at room temperature. The experimental data for the temperature dependence of the Hall mobility were compared with the calculated electron mobility. In the calculations of electron mobility, polar optical phonon scattering, ionized impurity scattering, background impurity scattering, interface roughness, piezoelectric scattering, acoustic phonon scattering and dislocation scattering were taken into account at all temperatures. The result is that at low temperatures interface roughness scattering is the dominant scattering mechanism and at high temperatures polar optical phonon scattering is dominant.     

Ab initio calculation of local vibrational modes by the Green’s function method. Application to GaAs:C and GaN:As

We present an ab initio technique for the calculation of vibrational modes at deep defects in semiconductors outside and inside the host-phonon bands. The dynamical matrix is calculated using density-functional theory in the local density approximation. In the results presented here all interatomic harmonic forces up to the eleventh nearest neighbour of a particular atom of the perturbed or unperturbed crystal are included. The Green's function method is used to obtain the difference of the density of phonon states between the perturbed and the perfect crystal. This technique is applied to calculate the split-off mode at the C impurity at As site in GaAs and its isotope shifts, which are in good agreement with Raman scattering experiments. It is demonstrated that the impurities generate resonances and localized modes inside the host-phonon bands. The resonances arise at specific energies of the density of phonon states of the perfect crystal which are practically independent of the chemical nature of the defect, whereas the localized modes show distinct impurity or ligand isotope shifts. Our calculations of GaAs and cubic GaN lead to the assignment of a number of low energy Raman-scattering peaks between 7.2 meV and 31.0 meV, observed at a layer of cubic GaN on a GaAs substrate, to resonances inside the phonon bands of GaAs and GaN. Received 5 March 1999