Molecular Dynamics Study Of Mechanical Behaviour Of Screw Dislocation During Cutting With Diamond Tip On Silicon

By means of Tersoff and Morse potentials, a three-dimensional molecular dynamics simulation is performed to study atomic force microscopy cutting on silicon monocrystal surface. The interatomic forces between the workpiece and the pin tool and the atoms of workpiece themselves are calculated. A screw dislocation is introduced into workpiece Si. It is found that motion of dislocations does not occur during the atomic force microscopy cutting processing. Simulation results show that the shear stress acting on dislocation is far below the yield strength of Si.

Dissociated screw dislocation which can relieve strain energy in the epitaxial layer of GeSi on Si(001)

A dissociated screw dislocation parallel to the interface was found in the epitaxial layer of the Ge0.17Si0.83 Si(001) system. It is shown that this dissociated screw dislocation which consists of two 30 degrees partials can relieve misfit strain energy, and the relieved misfit energy is proportional to the width of the stacking fault between the two partials.

Four novel screw-like tris(1,10-phenanthroline) ruthenium(II) bishexafluorophosphate derivatives

Four novel screw-like Ru(II) complexes, tris(5-lauramide-1,10-phenanthroline)Ru(II) bishexafluorophosphate, tris(5-myristamide-1,10-phenanthroline)Ru(II) bishexafluorophosphate, tris(5-palmitamide-1,10-phenanthroline)Ru(II) bishexafluorophosphate and tris (5-stearamide-1,10-phenanthroline)Ru(II) bishexafluorophosphate have been efficiently synthesized. They are confirmed by the techniques of IR, H-1 NMR, H-1-H-1 COSY and ES-MS. Also, their electrochemistry, fluorescence and electrochemiluminescence are reported.

FROM DIMER TO POLYMER .2. EXTENDED TO SYSTEMS POSSESSING 2-FOLD SCREW AXIS OR GLIDE PLANE

The approach for constructing the qualitative band structure of a polymer from corresponding dimer has been extended to the system possessing two-fold screw axis or. glide plane. The classification of energy levels of the dimer in the present case depends on pseudo-symmetry/antisymmetry instead of psendo-in-phase/out-of-phase property of the orbitals. Several typical conductive polymers are then discussed follow this approach. Among them are cis-polyacetylene, polyparaphenylene with a twist ang...

Tensile and compressive deformation of a short-glass-fiber-reinforced liquid-crystalline polymer

Results of tensile and compression tests on a short-glass-fiber-reinforced thermotropic liquid crystalline polymer are presented. The effect of strain rate on the compression stress-strain characteristics has been investigated over a wide range of strain rates epsilon between 10(-4) and 350 s-1. The low-strain-rate tests were conducted using a screw-driven universal tensile tester, while the high-strain-rate tests were carried out using the split Hopkinson pressure bar technique. The compression modulus was shown to vary with log10 (epsilon) in a bilinear manner. The compression modulus is insensitive to strain rate in the low-strain-rate regime (epsilon = 10(-4) - 10(-2) s-1), but it increases more rapidly with epsilon at higher epsilon. The compression strength changes linearly with log10 (epsilon) over the entire strain-rate range. The fracture surfaces were examined by scanning electron microscopy.

Effect of surface treatment of GaN based light emitting diode wafers on the leakage current of light emitting diode devices

To form low-resistance Ohmic contact to p-type GaN, InGaN/GaN multiple quantum well light emitting diode wafers are treated with boiled aqua regia prior to Ni/Au (5 nm/5 nm) film deposition. The surface morphology of wafers and the current-voltage characteristics of fabricated light emitting diode devices are investigated. It is shown that surface treatment with boiled aqua regia could effectively remove oxide from the surface of the p-GaN layer, and reveal defect-pits whose density is almost the same as the screw dislocation density estimated by x-ray rocking curve measurement. It suggests that the metal atoms of the Ni/Au transparent electrode of light emitting diode devices may diffuse into the p-GaN layer along threading dislocation lines and form additional leakage current channels. Therefore, the surface treatment time with boiled aqua regia should not be too long so as to avoid the increase of threading dislocation-induced leakage current and the degradation of electrical properties of light emitting diodes

Carrier capture by threading dislocations in (In,Ga)N/GaN heteroepitaxial layers

Using spatially resolved cathodoluminescence spectroscopy, we investigate the spatial luminescence distribution in a fully strained (In,Ga)N layer, in particular, its correlation with the distribution of threading dislocations (TDs). Regarding the impact of TDs on the luminescence properties, we can clearly distinguish between pure edge-type TDs and TDs with screw component. At the positions of both types of TDs, we establish nonradiative recombination sinks. The radius for carrier capture is at least four times larger for TDs with screw component as for pure edge-type TDs. The large capture radius of the former is due to a spiral-like growth mode resulting in an increase in the In content in the center of the spiral domains in comparison to their periphery.

A full spd tight-binding treatment for electronic bands of graphitic tubes

A tight-binding (TB) treatment with the inclusion of d orbitals is applied to the electronic structures of graphitic tubes. The results show that the high angular moment bases in TB scheme are necessary to account the severe curvature effect in ultra-thin single wall carbon nanotubes, especially for properly reproducing the band edge overlap behavior in (5, 0) tube, predicted by the existing ab initio calculations. In the large diameter limit, the participation of two synnmetry-allowed d bases provides a natural replication to the recent measured electronic dispersions of valence band of graphene when the strong anisotropy due to the two-dimensional planar hexagonal sheet structure is dealt with properly. In addition, the detailed relation between the two sets of quantum numbers of screw symmetry and that of zone folding is formulated in appendix. (C) 2008 Elsevier Ltd. All rights reserved.

Hillocks and hexagonal pits in a thick film grown by HVPE

A GaN film with a thickness of 250 mu m was grown on a GaN/sapphire template in a vertical hydride vapor phase epitaxy (HVPE) reactor. The full-width at half-maximum (FWHM) values of the film were 141 and 498 arcsec for the (0 0 2) and (1 0 2) reflections, respectively. A sharp band-edge emission with a FWHM of 20 meV at 50 K was observed, which corresponded to good crystalline quality of the film. Some almost circular-shaped hillocks located in the spiral growth center were found on the film surface with dimensions of 100 mu m, whose origin was related to screw dislocations and micropipes. Meanwhile, large hexagonal pits also appeared on the film surface, which had six triangular {1 0 (1) over bar 1} facets. The strong emission in the pits was dominated by an impurity-related emission at 377 nm, which could have been a high-concentration oxygen impurity. (c) 2008 Elsevier Ltd. All rights reserved.

The effect of single AlGaN interlayer on the structural properties of GaN epilayers grown on Si (111) substrates

High-quality and nearly crack-free GaN epitaxial layer was obtained by inserting a single AlGaN interlayer between GaN epilayer and high-temperature AlN buffer layer on Si (111) substrate by metalorganic chemical vapor deposition. This paper investigates the effect of AlGaN interlayer on the structural proper-ties of the resulting GaN epilayer. It confirms from the optical microscopy and Raman scattering spectroscopy that the AlGaN interlayer has a remarkable effect on introducing relative compressive strain to the top GaN layer and preventing the formation of cracks. X-ray diffraction and transmission electron microscopy analysis reveal that a significant reduction in both screw and edge threading dislocations is achieved in GaN epilayer by the insertion of AlGaN interlayer. The process of threading dislocation reduction in both AlGaN interlayer and GaN epilayer is demonstrated.

Effect of the ratio of TMIn flow to group III flow on the properties of InGaN/GaN multiple quantum wells

Triple-axis x-ray diffraction (TXRD) and photoluminescence (PL) spectra are used to assess the influence of the ratio of TMIn flow to group III flow on structural defects, such as dislocations and interface roughness, and optical properties of multiple quantum wells(MQWs). In this paper the mean densities of edge and screw dislocations in InGaN/GaN MQWs are obtained by W scan of every satellite peak of (0002) symmetric and (1012) asymmetric diffractions. At the same time, the interface roughness is measured by the radio of the full width at half maximum of satellite peaks to the peak orders. The experimental results showed that the density of dislocation, especially of edge dislocation, and interface roughness increase with the increase of the ratio, which leads to the decrease of PL properties. It also can be concluded that the edge dislocation acts as nonradiative recombination centers in InGaN/GaN MQWs. Also noticed is that the variation of the ratio has more influence on edge dislocation than on screw dislocation.

The influence of AlN buffer layer thickness on the properties of GaN epilayer

The influence of low-temperature AlN buffer layer thickness on GaN epilayer was investigated by triple-axis X-ray diffraction (XRD) and photoluminescence measurements. A method was proposed to measure the screw and edge dislocation densities by XRD. It was found that the buffer layer thickness was a key parameter to affect the quality of GaN epilayer and an appropriate thickness resulted in the best structural and optical properties except the lateral grain size. After the thickness exceeding the appropriate value, the compressive stress in the epilayer decreased as the thickness increased, which led to the redshift of the near-band edge luminescence. The experimental results showed the buffer layer thickness had more influence on edge dislocation than screw type and the former was perhaps the main source of the yellow band. (C) 2004 Elsevier B.V. All rights reserved.

Effect of trimethylgallium flow on the structural and optical properties of InGaN/GaN multiple quantum wells

InGaN/GaN multiple quantum wells (MQWs) are grown by metal-organic chemical vapour deposition on (0001) sapphire substrates. Triple-axis X-ray diffraction (TXRD) and photoluminescence (PL) spectra are used to assess the influence of trimethylgallium (TMGa) flow on structural defects, such as dislocations and interface roughness, and the optical properties of the MQWs. In this paper, a method, involving an ! scan of every satellite peak of TXRD, is presented to measure the mean dislocation density of InGaN/GaN MQWs. The experimental results show that under certain conditions which keep the trimethlyindium flow constant, dislocation density and interface roughness decrease with the increase of TMGa flow, which will improve the PL properties. It can be concluded that dislocations, especially edge dislocations, act as nonradiative recombination centres in InGaN/GaN MQWs. Also noticed is that changing the TMGa flow has more influence on edge dislocations than screw dislocations.

Influence of dislocations on photoluminescence of InGaN/GaN multiple quantum wells

The influence of dislocations on photoluminescence (PL) of InGaN/GaN multiple quantum wells (MQWs) is investigated by triple-axis x-ray diffraction (TAXRD), transmission electron microscopy (TEM), and PL spectra. The omega scan of every satellite peak by TAXRD is adopted to evaluate the mean screw and edge dislocation densities in MQWs. The results show that dislocations can lead to a reduction of the PL-integrated intensity of InGaN/GaN MQWs under certain conditions, with edge dislocations playing a decisive role. Additionally, the dislocations can broaden the PL peak, but the effect becomes evident only under the condition when the interface roughness is relatively low. (C) 2005 American Institute of Physics.

The influence of AlN/GaN superlattice intermediate layer on the properties of GaN grown on Si(111) substrates

AlN/GaN superlattice buffer is inserted between GaN epitaxial layer and Si substrate before epitaxial growth of GaN layer. High-quality and crack-free GaN epitaxial layers can be obtained by inserting AlN/GaN superlattice buffer layer. The influence of AlN/GaN superlattice buffer layer on the properties of GaN films are investigated in this paper. One of the important roles of the superlattice is to release tensile strain between Si substrate and epilayer. Raman spectra show a substantial decrease of in-plane tensile strain in GaN layers by using AlN/GaN superlattice buffer layer. Moreover, TEM cross-sectional images show that the densities of both screw and edge dislocations are significantly reduced. The GaN films grown on Si with the superlattice buffer also have better surface morphology and optical properties.