Strong-coupling theory of mobility collapse in GaN layers

Within the framework of strong-coupling theory we study the effect of highly negatively charged threading dislocations on the electron mobility collapse in n-GaN layers. An analytical expression is derived showing the way in which the electrically active dislocations establish the critical carrier concentration at which the collapse occurs. Results are presented suggesting that the experimental collapse data can be utilized for determining the characteristic magnitude of the statistical filling factor of dislocation related traps in the GaN bandgap.     

Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

Frank's theory describes that a screw dislocation will produce a pit on the surface,and has been evidenced in many material systems including GaN.However,the size of the pit calculated from the theory deviates significantly from experimental result.Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c-plane GaN,we believe that Frank's model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same.If the kinetic process is too vigorous or too slow to reach a balance,the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state.When the curvature at the center of the dislocation core reaches the critical value 1/r_0,at the edge of the spiral,the accelerating rate of the curvature may not fall to zero,so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit.     

Dislocation slip behaviors in high-quality bulk GaN investigated by nanoindentation

The dislocation slip behaviors in GaN bulk crystal are investigated by nanoindentation, the dislocation distribution patterns formed around an impress are observed by cathodoluminescence (CL) and cross-sectional transmission electron microscope (TEM). Dislocation loops, vacancy luminescence, and cross-slips show hexagonal symmetry around the <11-20> and <1-100> direction on c-plane. It is found that the slip planes of dislocation in GaN crystal are dominated in {0001} basal plane and {10-11} pyramid plane. According to the dislocation intersection theory, we come up with the dislocation formation process and the related mechanisms are discussed.     

Initial stages of misfit stress relaxation through the formation of prismatic dislocation loops in GaN–Ga<Subscript>2</Subscript>O<Subscript>3</Subscript> composite nanostructures

The initial stages of misfit stress relaxation through the formation of rectangular prismatic dislocation loops in model composite nanostructures have been considered. The nanostructures are either spherical or cylindrical GaN shells grown on solid or hollow β-Ga²O₃ cores or planar thin GaN films on β-Ga²O₃ substrates. Three characteristic configurations of prismatic dislocation loops, namely, square loops, loops elongated along the GaN/Ga²O₃ interface, and loops elongated along the normal to the GaN/Ga²O₃ interface, have been analyzed. The generation of prismatic dislocation loops from the interface into the bulk of the GaN shell (film), from the free surface into the GaN shell (film), and from the interface into the β-Ga²O₃ core (substrate) has been investigated. It has been shown that, for the minimum known estimate of the lattice misfit (2.6%) in some of the considered nanostructures, no any prismatic dislocation loops can be generated. If the generation of prismatic dislocation loops is possible, then in all the considered nanostructures, the energetically more favorable case corresponds to prismatic dislocation loops elongated along the GaN/Ga²O₃ interfaces, and the more preferred generation of prismatic dislocation loops occurs from the GaN free surface. The GaN/Ga²O₃ nanostructures that are the most and least resistant to the formation of prismatic dislocation loops have been determined. It has been found that, among the considered nanostructures, the planar two-layer GaN/Ga²O₃ plate is the most resistant to the generation of prismatic dislocation loops, which is explained by the action of an alternative mechanism for the relaxation of misfit stresses due to the bending of the plate. The least resistant nanostructure is the planar three-layer GaN/Ga²O₃/GaN plate, in which GaN films have an identical thickness and which itself as a whole does not undergo bending. The critical thicknesses of the GaN shells (films), which must be exceeded to ensure the growth of these shells (films) so as to avoid the formation of prismatic dislocation loops, have been calculated for all the studied nanostructures and three known estimates of the lattice misfits (2.6, 4.7, and 10.1%).     

Role of oxygen at screw dislocations in GaN

Here we report the first direct atomic scale experimental observations of oxygen segregation to screw dislocations in GaN using correlated techniques in the scanning transmission electron microscope. The amount of oxygen present in each of the three distinct types of screw dislocation core is found to depend on the evolution and structure of the core, and thus gives rise to a varying concentration of localized states in the band gap. Contrary to previous theoretical predictions, the substitution of oxygen for nitrogen is observed to extend over many monolayers for the open core dislocation.     

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.     

Ni/Au/n-GaN肖特基二极管可导位错的电学模型

可导线性位错被普遍认为是GaN基器件泄漏电流的主要输运通道,但其精细的电学模型目前仍不清楚.鉴于此,本文基于对GaN肖特基二极管的电流输运机制分析提出可导位错的物理模型,重点强调:1)位于位错中心的深能级受主态(主要Ga空位)电离后库仑势较高,理论上对泄漏电流没有贡献; 2)位错周围的高浓度浅能级施主态电离后能形成势垒高度较低的薄表面耗尽层,可引发显著隧穿电流,成为主要漏电通道;3)并非传统N空位,认为O替代N所形成的浅能级施主缺陷应是引发漏电的主要电学态,其热激活能约为47.5 meV.本工作亦有助于理解其他GaN器件的电流输运和电学退化行为.     

侧向外延法生长的高质量GaN及其外延缺陷的观察

在有条状SiO2图形的GaN“模板”上,侧向外延方法生长了高质量的GaN。荧光显微镜的结果表明在SiO2掩膜区有成核过程发生。原因可能是SiO2的质量不高,为GaN的生长提供了一些成核中心。在GaN层的厚度达到4．5μm后,侧向的融合开始发生。侧向生长的速度与垂直生长速度几乎相同。在所有的SiO：掩膜上方都形成了空洞。样品在240℃熔融的KOH中腐蚀13min。在SiO2掩膜区生长的GaN,其腐蚀坑密度(相当于穿透位错密度)减少到几乎为零。而在窗口区生长的GaN,腐蚀坑密度仍然很高,达到10^8cm^-2量级。同时,我们发现具有不同窗口尺寸的样品在SiO2掩膜区上侧向生长的CaN的晶体质量基本相同,与窗口区的宽度几乎无关。室温光荧光结果表明侧向外延法生长的CaN中的晶格失配应力已被部分释放。     

Lateral Epitaxy Overgrown (LEO) GaN 导热系数的数值研究

利用修正的Callaway模型对含杂质、位错、以及同位素的LEO GaN的导热系数进行了研究,计算表明同位素对LEO GaN的导热系数影响较大,而位错和杂质大于一定值时其值才对导热系数产生影响.     

Anisotropy of the EPR line shape of dislocation acceptor centers in semiconducting type Ic diamonds

The shape anisotropy of the EPR lines of broken carbon bonds in a dislocation core with an edge component in natural semiconducting type Ic diamonds has been investigated. It has been found that electrically active acceptor centers are formed at dislocation steps, jogs, or kinks. The distance between the paramagnetic centers is determined.     

Equilibrium critical thickness for a wurtzite InGaN/GaN heterostructure

We present a finite element model to simulate a combined strained In_xGa_1−xN/GaN heterostructure and an edge misfit dislocation on the basal {0001} slip plane, taking the anisotropic elasticity into account. The introduction of a misfit dislocation partially relaxes the misfit strain. The model directly gives the residual strain, which is the exact strain field stored in the system after relaxation. The critical thickness is then determined based on an overall energy minimization approach including the dislocation core contribution. Compared with the results from other methods and available experimental data, our approach is appropriate for describing the critical thickness of the wurtzite InGaN/GaN material system.     

Dislocation damping in alkali halides

In the amplitude independent region the dislocation damping is attributed to either phonon-drag (Granato-Lücke theory) or to the compensating charge-cloud surrounding electrically charged dislocations (Robinson-Birnbaum theory). The experimental results for the dependence of the damping on temperature, frequency and dislocation charge are compared with the two theories. Since it is found that in some cases it is necessary to include both forms of damping, a more complete theory is developed which includes both terms.

In the amplitude dependent region the dislocation damping was thought to be due to the dislocations breaking away from pinning points or breaking through the compensating charge-cloud. Using the piezoelectric defect results for electrically charged dislocation in KCl the force-displacement hysteresis loop for the moving dislocations is determined together with the force-displacement curves for dislocations assuming phonon and charge-cloud damping. These results are found to be inconsistent with the “break away” models for amplitude dependence but instead to be consistent with the restoring force due to an elliptical compensation charge cloud, with a size proportional to the square root of the dislocation charge.     

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.     

Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials

The lattice-misfit InN/GaN (0001) interface supports a triangular network of α-core 90° partial misfit dislocations. These misfit dislocations provide excellent strain relief. However, in their unreconstructed form the dislocation contains numerous high-energy N dangling bonds, which must be eliminated by reconstructing the dislocation core. Existing single-period (SP) and double-period (DP) dislocation reconstruction models eliminate these dangling bonds via a like-atom dimerization, such as N-N dimers. However, we show that these N–N dimers are unstable for the III-N materials, so an entirely new reconstruction mechanism is needed. A “triple-period” (TP) structural model is developed which eliminates N dangling bonds via the formation of N vacancies instead of N-N dimers. The model contains no N–N (or III–III) bonds, fully bonds all N atoms to four group-III neighboring atoms, and satisfies the “electron counting rule” by transferring charge from In dangling bonds to Ga dangling bonds.     

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。     

A Piezoelectric Screw Dislocation Interacting with an Elliptical Piezoelectric Inhomogeneity Containing a Confocal Elliptical Rigid Core

The electro-elastic interaction between a piezoelectric screw dislocation and an elliptical piezoelectric inhomogeneity, which contains an electrically conductive confocal elliptical rigid core under remote anti-plane shear stresses and in-plane electrical load is dealt with. The analytical solutions to the elastic field and the electric field, the interfacial stress fields of inhomogeneity and matrix under longitudinal shear and the image force acting on the dislocation are derived by means of complex method. The effect of material properties and geometric configurations of the rigid core on interfacial stresses generated by a remote uniform load, rigid core and material electroelastic properties on the image force is discussed.     

Progress in bulk GaN growth

Three main technologies for bulk GaN growth,i.e.,hydride vapor phase epitaxy(HVPE),Na-flux method,and ammonothermal method,are discussed.We report our recent work in HVPE growth of GaN substrate,including dislocation reduction,strain control,separation,and doping of GaN film.The growth mechanisms of GaN by Na-flux and ammonothermal methods are compared with those of HVPE.The mechanical behaviors of dislocation in bulk GaN are investigated through nano-indentation and high-space resolution surface photo-voltage spectroscopy.In the last part,the progress in growing some devices on GaN substrate by homo-epitaxy is introduced.     

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。     

Screw dislocations in the field theory of elastoplasticity

A (microscopic) static elastoplastic field theory of dislocations with moment and force stresses is considered. The relationship between the moment stress and the Nye tensor is used for the dislocation Lagrangian. We discuss the stress field of an infinitely long screw dislocation in a cylinder, a dipole of screw dislocations and a coaxial screw dislocation in a finite cylinder. The stress fields have no singularities in the dislocation core and they are modified in the core due to the presence of localized moment stress. Additionally, we calculated the elastoplastic energies for the screw dislocation in a cylinder and the coaxial screw dislocation. For the coaxial screw dislocation we find a modified formula for the so‐called Eshelby twist which depends on a specific intrinsic material length.     

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band $\bm k\cdot \bm p$ theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.