Dopant compensation in HfO2 and other high K oxides

The theory of doping limits in semiconductors and insulators is applied to the case of wide gap oxides, crystalline, or amorphous, and used to explain that impurities do not in general give rise to gap states or a doping response. Instead, the system tends to form defect complexes or undergo symmetry-lowering reconstructions to expel gap states out of the band gap. The model is applied to impurities, such as trivalent metals, carbon, N, P, and B, in HfO2, the main gate dielectric used in field effect transistors. © 2014 AIP Publishing LLC.

Donor-donor binding in In2O3: Engineering shallow donor levels

Using first-principles band structure methods, we investigate the interactions between different donors in In2O3. Through the formation energy and transition energy level calculations, we find that an oxygen-vacancy creates a deep donor level, while an indium-interstitial or a tin-dopant induces a shallow donor level. The coupling between these donor levels gives rise to even shallower donor levels and leads to a significant reduction in their formation energies. Based on the analysis of the PBE0-corrected band structure and the molecular-orbital bonding diagram, we demonstrate these effects of donor-donor binding. In addition, total energy calculations show that these defect pairs tend to be more stable with respect to the isolated defects due to their negative binding energies. Thus, we may design shallow donor levels to enhance the electrical conductivity via the donor donor binding.

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

A Single-Fundamental-Mode Photonic Crystal Vertical Cavity Surface Emitting Laser

Single-fundamental-mode photonic crystal (PhC) vertical cavity surface emitting lasers (VCSEL) are produced and their single-fundamental-mode performances are investigated and demonstrated. A two-dimensional PhC with single-point-defect structure is fabricated using UV photolithography and inductive coupled plasma reactive ion etching on the surface of the VCSEL's top distributed Bragg-reflector. The PhC VCSEL maintains single-fundamental-mode operating with output power 1.7 mW and threshold current 2.5 mA. The full width half maximum of the lasing spectrum is less than 0.1 nm, the far field divergence angle is less than 10 degrees and the side mode suppression ratio is over 35 dB. The device characteristics are analyzed based on the effective index model of the photonic crystal fiber. The experimental results agree well with the theoretical expectation.

Design of a compact polarizing beam splitter based on a photonic crystal ring resonator with a triangular lattice

We propose and simulate a new kind of compact polarizing beam splitter (PBS) based on a photonic crystal ring resonator (PCRR) with complete photonic bandgaps. The two polarized states are separated far enough by resonant and nonresonant coupling between the waveguide modes and the microring modes. Some defect holes are utilized to control the beam propagation. The simulated results obtained by the finite-difference time-domain method show that high transmission (over 95%) is obtained and the polarization separation is realized with a length as short as 3.1 mu m. The design of the proposed PBS can be flexible, thanks to the advantages of PCRRs.

Ultracompact triplexer by coupling and decoupling of multiple photonic crystal waveguides

We investigate numerically the self-imaging effect in a system of multiple coupled photonic crystal waveguides (M-CPCWs) with asymmetric coupling. Then two couplers of 2-CPCWs and 3-CPCWs are cascaded to form an ultracompact triplexer by employing coupling and decoupling of M-CPCWs. The wavelength of 1310 nm propagates along the input direction because the M-CPCWs are decoupled at the same decoupling frequency. The other two wavelengths (1490 and 1550 nm) are separated by combining multimode interference and the dual mode coupling effect. Only by introducing a single defect near the crossing point between two output photonic crystal waveguides (PCWs) are the high extinction ratios for the three wavelengths achieved simultaneously.

Proposal of an Ultracompact Triplexer Using Photonic Crystal Waveguide with an Air Holes Array

We propose an ultracompact triplexer based on a shift of the cutoff frequency of the fundamental mode in a planar photonic crystal waveguide (PCW) with a triangular lattice of air holes. The shift is realized by modifying the radii of the border holes adjacent to the PCW core. Some defect holes are introduced to control the beam propagation. The numerical results obtained by the finite-difference time-domain method show that the presented triplexer can separate three specific wavelengths, i.e. 1310, 1490 and 1550 nm with the extinction ratios higher than - 18 dB. The designed device with a size as compact as 12 mu m x 6.5 mu m is feasible for the practical application, and can be utilized in the system of fiber to the home.

The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires

Using first-principles methods, we systematically study the mechanism of defect formation and electronic structures for 3d transition-metal impurities (V, Cr, Mn, Fe, and Co) doped in silicon nanowires. We find that the formation energies of 3d transition-metal impurities with electrons or holes at the defect levels always increase as the diameters of silicon nanowires decrease, which suggests that self-purification, i.e., the difficulty of doping in silicon nanowires, should be an intrinsic effect. The calculated results show that the defect formation energies of Mn and Fe impurities are lower than those of V, Cr, and Co impurities in silicon nanowires. It indicates that Mn and Fe can easily occupy substitutional site in the interior of silicon nanowires. Moreover, they have larger localized moments, which means that they are good candidates for Si-based dilute magnetic semiconductor nanowires. The doping of Mn and Fe atom in silicon nanowires introduces a pair of energy levels with t(2) symmetry. One of which is dominated by 3d electrons of Mn or Fe, and the other by neighboring dangling bonds of Si vacancies. In addition, a set of nonbonding states localized on the transition-metal atom with e symmetry is also introduced. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3000445]

High transmission of slow light in the photonic crystal waveguide bends

We present the research on the transmission characteristic of slow-light-mode in the photonic crystal line-defect waveguide bends on SOL After optimizing the structure parameters in the vicinity of the bends, the normalized transmission efficiency of slow-light-mode through the photonic crystal 60 degree and 120 degree waveguide bends are as high as 80% and 60% respectively, which are 10 times higher than that in the undeformed case. To slow down light further, we design novel coupled cavity waveguide bend structures with high quality-factor. High normalized transmission efficiency of 75% and low group velocity of c/170 ( c is the light velocity in vacuum) are realized. These results are beneficial to enhance the slow light effect of photonic crystal structures and improve the miniaturization and integration of photonic crystal slow light devices.

Zn2SiO4/ZnO Core/Shell Coaxial Heterostructure Nanobelts Formed by an Epitaxial Growth

Si-doped ZnO can be synthesized on the surface of the early grown Zn2SiO4 nanostructures and form core/ shell coaxial heterostructure nanobelts with an epitaxial orientation relationship. A parallel interface with a periodicity array of edge dislocations and an inclined interface without dislocations can be formed. The visible green emission is predominant in PL spectra due to carrier localization by high density of deep traps from complexes of impurities and defects. Due to band tail localization induced by composition and defect fluctuation, and high density of free-carriers donated by doping, especially the further dissociation of excitons into free-carriers at high excitation intensity, the near-band-edge emission is dominated by the transition of free-electrons to free-holes, and furthermore, exhibits a significant excitation power-dependent red-shift characteristic. Due to the structure relaxation and the thermalization effects, carrier delocalization takes place in deep traps with increasing excitation density. As a result, the green emission passes through a maximum at 0.25I(0) excitation intensity, and the ratio of the violet to green emission increases monotonously as the excitation laser power density increases. The violet and green emission of ZnO nanostructures can be well tuned by a moderate doping and a variation in the excitation density.

Effect of Copassivation of Cl and Cu on CdTe Grain Boundaries

Using a first-principles method, we investigate the structural and electronic properties of grain boundaries (GBs) in polycrystalline CdTe and the effects of copassivation of elements with far distinct electronegativities. Of the two types of GBs studied in this Letter, we find that the Cd core is less harmful to the carrier transport, but is difficult to passivate with impurities such as Cl and Cu, whereas the Te core creates a high defect density below the conduction band minimum, but all these levels can be removed by copassivation of Cl and Cu. Our analysis indicates that for most polycrystalline systems copassivation or multipassivation is required to passivate the GBs.

The effect of low temperature AlN interlayers on the growth of GaN epilayer on Si (111) by MOCVD

Low temperature (LT) AlN interlayers were used to effectively reduce the tension stress and micro-cracks on the surface of the GaN epilayer grown on Si (111) substrate. Optical Microscopy (OM), Atomic Force Microscopy (AFM), Surface Electron Microscopy (SEM) and X-Ray Diffraction (XRD) were employed to characterize these samples grown by metal-organic chemical vapor deposition (MOCVD). In addition, wet etching method was used to evaluate the defect of the GaN epilayer. The results demonstrate that the morphology and crystalline properties of the GaN epilayer strongly depend on the thickness, interlayer number and growth temperature of the LT AlN interlayer. With the optimized LT AlN interlayer structures, high quality GaN epilayers with a low crack density can be obtained. (C) 2008 Elsevier Ltd. All rights reserved.

Origin of the doping bottleneck in semiconductor quantum dots: A first-principles study

Doping difficulty in semiconductor nanocrystals has been observed and its origin is currently under debate. It is not clear whether this phenomenon is energetic or depends on the growth kinetics. Using first-principles method, we show that the transition energies and defect formation energies of the donor and acceptor defects always increase as the quantum dot sizes decrease. However, for isovalent impurities, the changes of the defect formation energies are rather small. The origin of the calculated trends is explained using simple band-energy-level models.

Evolution of structural defects in SiOx films fabricated by electron cyclotron resonance plasma chemical vapour deposition upon annealing treatment

We study the structural defects in the SiOx film prepared by electron cyclotron resonance plasma chemical vapour deposition and annealing recovery evolution. The photoluminescence property is observed in the as-deposited and annealed samples. [-SiO3](2-) defects are the luminescence centres of the ultraviolet photoluminescence (PL) from the Fourier transform infrared spectroscopy and PL measurements. [-SiO3](2-) is observed by positron annihilation spectroscopy, and this defect can make the S parameters increase. After 1000 degrees C annealing, [-SiO3](2-) defects still exist in the films.

Annihilation of deep level defects in InP through high temperature annealing

Deep level transient spectroscopy (DLTS) and thermally stimulated current spectroscopy (TSC) have been used to investigate defects in semi-conducting and semi-insulating (SI) InP after high temperature annealing, respectively. The results indicate that the annealing in iron phosphide ambient has an obvious suppression effect of deep defects, when compared with the annealing in phosphorus ambient. A defect annihilation phenomenon has also been observed in Fe-doped SI-InP materials after annealing. Mechanism of defect formation and annihilation related to in-diffusion of iron and phosphorus is discussed. Nature of the thermally induced defects has been discussed based on the results. (c) 2007 Elsevier Ltd. All rights reserved.