Effect of substrate type on Ni self-assembly process

Ni self-assembly has been performed on Ga N(0001), Si(111) and sapphire(0001) substrates. Scanning electron microscopy(SEM) images verify that the Si(111) substrate leads to failure of the Ni assembly due to Si–N interlayer formation; the GaN(0001) and sapphire(0001) substrates promote assembly of the Ni particles. This indicates that the GaN/sapphire(0001) substrates are fit for Ni self-assembly. For the Ni assembly process on Ga N/sapphire(0001) substrates,three differences are observed from the x-ray diffraction(XRD) patterns:(i) Ni self-assembly on the sapphire(0001) needs a 900?C annealing temperature, lower than that on the GaN(0001) at 1000?C, and loses the Ni network structure stage;(ii) the Ni particle shape is spherical for the sapphire(0001) substrate, and truncated-cone for the GaN(0001) substrate; and(iii) a Ni–N interlayer forms between the Ni particles and the GaN(0001) substrate, but an interlayer does not appear for the sapphire(0001) substrate. All these differences are attributed to the interaction between the Ni and the Ga N/sapphire(0001) substrates. A model is introduced to explain this mechanism.     

Characterization of different-Al-content AlGaN/GaN heterostructures on sapphire

Al x Ga 1-x N/GaN high-electron-mobility transistor (HEMT) structures with Al composition ranging from x = 0.13 to 0.36 are grown on sapphire substrates by low-pressure metalorganic chemical vapor deposition (LP-MOCVD). The effects of Al content on crystal quality, surface morphology, optical and electrical characteristics of the AlGaN/GaN heterostructures have been analyzed. Although high Al-content (36%) heterostructure exhibits a distinguished photoluminescence peak related to recombination between the two-dimensional electron gas and photoexcited holes (2DEG-h), its crystal quality and rough surface morphology are poor. 2DEG mobility increases with the Al content up to 26% and then it apparently decreases for high Al-content (36%) AlGaN/GaN heterostructure. The increase of sheet carrier density with the increase of Al content has been observed. A high mobility at room temperature of 2105 cm 2 /V s with a sheet carrier density of n s = 1.10 × 10 13 cm -2 , for a 26% Al-content AlGaN/GaN heterostructure has been obtained, which is approaching state-of-the-art for HEMT grown on SiC. Sheet resistance as low as 274 Ω/□ has also been achieved.     

Cu原子掺杂调控三聚氰胺在Au(111)表面自组装结构

The doping effect of Cu on the self-assembly film of melamine on an Au(111) surface has been investigated with scanning tunneling microscopy (STM). The evaporated Cu adatoms occupy the positions underneath the amino groups and change the hydrogen bonding pattern between the melamine molecules. Accordingly, the self-assembly structure has changed stepwise from a well-defined honeycomb into a track-like and then a triangular structure depending on the amount of Cu adatoms. The interaction between Cu adatom and melamine is moderate thus the Cu adatoms can be released upon mild heating to around 100℃. These findings are different from previous observations of either the coordination assembly or the physically trapped metal adatoms.     

Plasma assisted molecular beam epitaxial growth of GaN with low growth rates and their properties

A systematic investigation on PA-MBE grown GaN with low growth rates(less than 0.2μm/h)has been conducted in a wide growth temperature range,in order to guide future growth of sophisticated fine structures for quantum device applications.Similar to usual growths with higher growth rates,three growth regions have been revealed,namely,Ga droplets,slightly Ga-rich and N-rich 3D growth regions.The slightly Ga-rich region is preferred,in which GaN epilayers demonstrate optimal crystalline quality,which has been demonstrated by streaky RHEED patterns,atomic smooth surface morphology,and very low defect related yellow and blue luminescence bands.The growth temperature is a critical parameter to obtain high quality materials and the optimal growth temperature window(~700-760℃)has been identified.The growth rate shows a strong dependence on growth temperatures in the optimal temperature window,and attention must be paid when growing fine structures at a low growth rate.Mg and Si doped GaN were also studied,and both p-and n-type materials were obtained.     

Step instability of the In_0.2Ga_0.8As （001） surface during annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8 As/GaAs(001) surface has been investigated by scanning tunneling microscopy (STM). The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton–Cabrera–Frank (BCF) model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Step instability of the In0.2Ga0.8As （001） surface during annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8 As/GaAs(001) surface has been investigated by scanning tunneling microscopy (STM). The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton–Cabrera–Frank (BCF) model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Effects of Ⅴ/Ⅲ ratio on species diffusion anisotropy inthe MOCVD growth of non-polar a-plane GaN films

Non-polar a-plane (110) GaN films have been grown on r-plane (102) sapphire substrates by metal organic chemical vapour deposition. The influences of Ⅴ/Ⅲ ratio on the species diffusion anisotropy of a-plane GaN films were investigated by scanning electron microscopy, cathodoluminescence and high-resolution x-ray diffraction measurements. The anisotropy of a-plane GaN films may result from the different migration length of adatoms along two in-plane directions. Ⅴ/Ⅲ ratio has an effect on the growth rates of different facets and crystal quality. The stripe feature morphology was obviously observed in the film with a high V/III ratio because of the slow growth rate along the [100] direction. When the Ⅴ/Ⅲ ratio increased from 1000 to 6000, the in-plane crystal quality anisotropy was decreased due to the weakened predominance in migration length of gallium adatoms.     

Comparative study of adsorption characteristics of Cs on the GaN(0001) and GaN(000) surfaces

The adsorption characteristics of Cs on GaN(0001) and GaN(000) surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations.The results show that the most stable position of the Cs adatom on the GaN(0001) surface is at the N-bridge site for 1/4 monolayer coverage.As the coverage of Cs atoms at the N-bridge site is increased,the adsorption energy reduces.As the Cs atoms achieve saturation,the adsorption is no longer stable when the coverage is 3/4 monolayer.The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer,and then rises with Cs atomic coverage.The most stable position of Cs adatoms on the GaN(000) surface is at H3 site for 1/4 monolayer coverage.As the Cs atomic coverage at H3 site is increased,the adsorption energy reduces,and the adsorption is still stable when the Cs adatom coverage is 1 monolayer.The work function reduces persistently,and does not rise with the increase of Cs coverage.     

Comparative study of adsorption characteristics of Cs on the GaN （0001） and GaN （0001） surfaces

The adsorption characteristics of Cs on GaN （0001） and GaN （0001） surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave uttrasoft pseudopotential method based on first-principles calculations. The results show that the most stable position of the Cs adatom on the GaN （0001） surface is at the N-bridge site for 1/4 monolayer coverage. As the coverage of Cs atoms at the N-bridge site is increased, the adsorption energy reduces. As the Cs atoms achieve saturation, the adsorption is no longer stable when the coverage is 3/4 monolayer. The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer, and then rises with Cs atomic coverage. The most stable position of Cs adatoms on the GaN （000i） surface is at H3 site for 1/4 monolayer coverage. As the Cs atomic coverage at H3 site is increased, the adsorption energy reduces, and the adsorption is still stable when the Cs adatom coverage is 1 monolayer. The work function reduces persistently, and does not rise with the increase of Cs coverage.     

Step instability of the surface during Ino.2Gao.sAs （001） annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8As/GaAs（001） surface has been investigated by scanning tunneling microscopy （STM）. The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton Cabrer-Frank （BCF） model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Quantum dots-templated growth of strain-relaxed GaN on a c-plane sapphire by radio-frequency molecular beam epitaxy

We investigated the quantum dots-templated growth of a(0001) GaN film on a c-plane sapphire substrate.The growth was carried out in a radio-frequency molecular beam epitaxy system.The enlargement and coalescence of grains on the GaN quantum dots template was observed in the atom force microscopy images,as well as the more ideal surface morphology of the GaN epitaxial film on the quantum dots template compared with the one on the AlN buffer.The Ga polarity was confirmed by the reflected high energy electron diffraction patterns and the Raman spectra.The significant strain relaxation in the quantum dots-templated GaN film was calculated based on the Raman spectra and the X-ray rocking curves.Meanwhile,the threading dislocation density in the quantum dots-templated film was estimated to be 7.1×107cm-2,which was significantly suppressed compared with that of the AlN-buffered GaN film.The roomtemperature Hall measurement showed an electron mobility of up to 1860cm2 /V·s in the two-dimensional electron gas at the interface of the Al 0.25Ga0.75 N/GaN heterojunction.     

Surface Properties of Unintentionally Doped GaN Film and Its Contact Behaviour with Ni／Cr／Au Compound Metals

The surface properties of GaN films grown by plasma-assisted molecular beam epitaxy were investigated by using x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy, while the depth profile was analysed by the Ar ion sputtering method.The contaminants carbon and silicon are chiefly adsorbed onto the surface while oxygen and aluminium diffuse into the bulk to distribute in a certain depth. The mixture oxides is roughly 0.1μm in thickness. Based on the analytical results of XPS of the GaN films, the Ni/Cr/Au interdigital metal-semiconductor-metal (MSM) structure has been fabricated. It has been found that the contact behaviour of the Ni/Cr/Au/undoped GaN exhibits a linear I-V characteristic under dark and 362-um light excitation without annealing treatment. The lower resistance of the MSM structure has also been observed.     

Structural Features of Boron-Doped Si（113） Surfaces Simulated by ab initio Calculations

Based on ab initio calculations, boron-doped Si（113） surfaces have been simulated and atomic structures of the surfaces have been proposed. It has been determined that surface features of empty and filled states that are separately localized at pentamers and adatoms indicates a low surface density of B atoms, while it is attributed to heavy doping of B atoms at the second layer that pentamers and adatoms are both present in an image of scanning tunnelling microscopy. B doping at the second layer should be balanced by adsorbed B or Si atoms beside the adatoms and inserted B interstitials below the adatoms.     

Surface States in the AlxGa1-xN Barrier in AlxGa1-xN／GaN Heterostructures

Frequency-dependent capacitance-voltage (C-V) measurements have been performed on modulation-doped Al0.22 Ga0.78N/GaN heterostructures to investigate the characteristics of the surface states in the AlxGa1-xN barrier. Numerical fittings based on the experimental data indicate that there are surface states with high density locating on the AlxGa1-xN barrier. The density of the surface states is about 10^12cm^-2eV^-1, and the time constant is about 1μs. It is found that an insulating layer (Si3N4) between the metal contact and the surface of AlxGa1-xN can passlvate the surface states effectively.     

First principle study of the influence of vacancy defects on optical properties of GaN

We employ plane-wave with ultrasoft pseudopotential method to calculate and compare the total density of states and partial density of states of bulk-phase GaN,Ga0.9375 N,and GaN0.9375 systems based on the first-principle density-functional theory(DFT).For Ga and N vacancies,the electronic structures of their neighbor and next-neighbor atoms change partially.The Ga0.9375 N system has n-type semiconductor conductive properties,whereas the GaN0.9375 system has p-type semiconductor conductive properties.By studying the optical properties,the influence of Ga and N vacancy defects on the optical properties of GaN has been shown as mainly in the low-energy area and very weak in high-energy area.The dielectric peak influenced by vacancy defects expands to the visible light area,which greatly increases the electronic transition in visible light area.     

Non-Thermal Effects on CO-NO Surface Catalytic Reaction on Square Surface： Monte Carlo Study

A Monte Carlo simulation of the CO-NO heterogeneous catalytic reaction over a square surface has already been studied with a model based on the Langmuir-Hinshelwood (LH) mechanism. The results of this study are well known. Here we study the effects of transient non-thermal mobility of monomer (CO) based on precursor mechanism, diffusion of adsorbed nitrogen and oxygen atoms, on the phase diagram. The interesting feature of this model is the yield of a steady reactiw window, while simple LH mechanism is not capable of producing a steady reactive state.     

Synthesis of large-scale GaN nanowires by ammoniating Ga2O3 films on Co layer deposited on Si（111） substrates

A mass of GaN nanowires has been successfully synthesized on Si（111） substrates by magnetron sputtering through ammoniating Ga2O3/Co films at 950℃. X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscope and Fourier transformed infrared spectra are used to characterize the samples. The results demonstrate that the nanowires are of single-crystal GaN with a hexagonal wurtzite structure and possess relatively smooth surfaces. The growth mechanism of GaN nanowires is also discussed.     

Influence of adatom migration on wrinkling morphologies of AlGaN/GaN micro-pyramids grown by selective MOVPE

Ga N micro-pyramids with AlGaN capping layer are grown by selective metal–organic–vapor phase epitaxy(MOVPE). Compared with bare Ga N micro-pyramids, AlGaN/Ga N micro-pyramids show wrinkling morphologies at the bottom of the structure. The formation of those special morphologies is associated with the spontaneously formed AlGaN polycrystalline particles on the dielectric mask, owing to the much higher bond energy of Al–N than that of Ga–N. When the sizes of the polycrystalline particles are larger than 50 nm, the uniform source supply behavior is disturbed, thereby leading to unsymmetrical surface morphology. Analysis reveals that the scale of surface wrinkling is related to the migration length of Ga adatoms along the AlGaN {1ī01} facet. The migration properties of Al and Ga further affect the distribution of Al composition along the sidewalls, characterized by the μ-PL measurement.     

First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO

A detailed first-principles study of the diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO was performed. The O vacancy and interstitial are found to diffuse much more easily in surface than in bulk. The Zn vacancy has a similar migration barrier for both bulk and surface, but has much smaller barrier for the diffuse-in process. The Zn interstitial is difficult to diffuse in the surface directly, but it can diffuse into the bulk relatively easily. Specific values of corresponding migration barriers are obtained.     

Quantum efficiency decay mechanism of NEA GaN photocathode: A first-principles research

Using the first-principles method based on the density functional theory(DFT), the work function of seven different Ga N(0001) e1 × 1T surface models is calculated. The calculation results show that the optimal ratio of Cs to O for activation is between 3∶1 and 4∶1. Then, Cs/O activation and stability testing experiments on reflection-mode negative electron affinity Ga N photocathodes are performed. The surface model [Ga N(Mg): Cs]Cs-O after being activated with cesium and oxygen is used. The experiment results illustrate that the adsorption of O contained in the residual gas increases the surface potential barrier and the reduction of the effective dipole quantity is the basic cause of the quantum efficiency decay.