First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

Low temperature annealing effects on the structure and optical properties of ZnO films grown by pulsed laser deposition

ZnO thin films were deposited on glass substrates at room temperature (RT) similar to 500 degrees C by pulsed laser deposition (PLD) technique and then were annealed at 150-450 degrees C in air. The effects of annealing temperature on the microstructure and optical properties of the thin films deposited at each substrate temperature were investigated by XRD, SEM, transmittance spectra, and photoluminescence (PL). The results showed that the c-axis orientation of ZnO thin films was not destroyed by annealing treatments: the grain size increased and stress relaxed for the films deposited at 200-500 degrees C, and thin films densified for the films deposited at RT with increasing annealing temperature. The transmittance spectra indicated that E-g of thin films showed a decreased trend with annealing temperature. From the PL measurements, there was a general trend, that is UV emission enhanced with lower annealing temperature and disappeared at higher annealing temperature for the films deposited at 200-500 degrees C; no UV emission was observed for the films deposited at RT regardless of annealing treatment. Improvement of grain size and stoichiometric ratio with annealing temperature can be attributed to the enhancement of UV emission, but the adsorbed oxygen species on the surface and grain boundary of films are thought to contribute the annihilation of UV emission. It seems that annealing at lower temperature in air is an effective method to improve the UV emission for thin films deposited on glass substrate at substrate temperature above RT.

Effects of accumulated strain on the surface and optical properties of stacked 1.3 mu m InAs/GaAs quantum dot structures

We report the effects of accumulated strain by stacking on the surface and optical properties of stacked 1.3 mu m InAs/GaAs quantum dot (QD) structures grown by MOCVD. It is found that the surface of the stacked QD structures becomes more and more undulated with stacking, due to the increased strain in the stacked QD structures with stacking. The photoluminescence intensity from the QD structures first increases as the stacking number increases from 1 to 3 and then dramatically decreases as it further increases, implying a significant increase in the density of crystal defects in the stacked QD structures due to the accumulated strain. Furthermore, we demonstrate that the strain can be reduced by simply introducing annealing steps just after growing the GaAs spacers during the deposition of the stacked QD structures, leading to significant improvement in the surface and optical properties of the structures. (C) 2007 Elsevier B.V. All rights reserved.

Influence of V/III ratio on the structural and photoluminescence properties of In0.52AlAs/In0.53GaAs metamorphic high electron mobility transistor grown by molecular beam epitaxy

A series of metamorphic high electron mobility transistors (MMHEMTs) with different V/III flux ratios are grown on GaAs (001) substrates by molecular beam epitaxy (XIBE). The samples are analysed by using atomic force microscopy (AFM), Hall measurement, and low temperature photoluminescence (PL). The optimum V/III ratio in a range from 15 to 60 for the growth of MMHEMTs is found to be around 40. At this ratio, the root mean square (RMS) roughness of the material is only 2.02 nm; a room-temperature mobility and a sheet electron density are obtained to be 10610.0cm(2)/(V.s) and 3.26 x 10(12)cm(-2) respectively. These results are equivalent to those obtained for the same structure grown on InP substrate. There are two peaks in the PL spectrum of the structure, corresponding to two sub-energy levels of the In0.53Ga0.47 As quantum well. It is found that the photoluminescence intensities of the two peaks vary with the V/III ratio, for which the reasons are discussed.

Influence of fused interface on the optical and thermal characteristics of vertical cavity lasers

From the effective absorption coefficient of bonded interface and the relationship of interface to reflectivity at cavity mode for double bonded vertical cavity laser, it can be seen that bonded interfaces should be positioned at the null of standing wave distribution, and the thickness of interface should be less than 20 nm. Using the finite elements method, the temperature contour map of laser can be calculated. Results showed that the influence of thin interface to thermal characteristics of VCSELS is slight, while thick interface will lead to temperature increase of active region. SEM images demonstrate that hydrophobic bonding is suitable for the fabrication of the device, while hydrophilic bonding interface is unfavorable to optical and thermal properties of devices with interface thickness larger than 40 nm.

Indium mole fraction effect on the structural and optical properties of quaternary AlInGaN epilayers

AlInGaN quaternary epilayers with varying In mole fraction were investigated using triple-axis x-ray diffraction and photoluminescence measurements. The indium compositional fluctuation is enhanced with increasing In mole fraction, whereas the mosaicity of the AlInGaN epilayers is determined through the GaN template quality. Based on the analysis of the temperature dependence of the PL peak position, it is found that the localization effect strengthens with increasing In mole fraction due to the larger fluctuations of the In distribution. Increasing the influence of the localized state results in increasing the emission intensity and FWHM with the In content.

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.

Effects of TMIn flow on the interface and optical properties of InGaN/GaN mutiple quantum wells

The effects of pre-TMIn flow prior to QW growth and TMIn flow rates during QW growth on the interface and optical properties of InGaN/GaN MQWs were investigated. Pre-depositing indium prior to QW growth and an appropriate TMIn flow rate can improve the interface abruptness and increase the EL intensity. InGaN/GaN MQWs with improved interface abruptness have increasing emission intensity and wavelength. We attribute the interface improvement and the increase of EL intensity to the improvement of the indium compositional profiles. (C) 2004 Elsevier B.V. All rights reserved.

Effects of In surfactant on the crystalline and photoluminescence properties of GaN nanowiires

GaN nanowires have been grown with and without In as an additional source. The effects of In surfactant on the crystal quality and photoluminescence property of GaN nanowires are reported for the first time. X-ray diffraction, field emission scanning electron microscopy, high-resolution transmission electron microscopy, energy-dispersive x-ray spectroscopy, and photoluminescence measurements are employed to analyse the products. The results show that introducing a certain amount of In surfactant during the growth process can improve the crystal quality of the GaN nanowires, and enhance the photolurainescence of them. In addition, the as-prepared GaN nanowires have the advantage of being easy to be separated, which will benefit the subsequent nanodevice fabrication.

The structural and photoluminescence character of InAs quantum dots grown on a combined InAlAs and GaAs strained buffer

The structural and photoluminescence (PL) properties of the InAs quantum dots (QDs) grown on a combined InAlAs and GaAs strained buffer layer have been investigated by AFM and PL measurements. The dependence of the critical thickness for the transition from 2D to 3D on the thickness of GaAs layer is demonstrated directly by RHEED. The effects of the introduced-InAlAs layer on the density and the aspect ratio of QDs have been discussed.

The effect of a combined InAlAs and GaAs strained buffer layer on the structure and optical property of InAs quantum dots

The character of InAs quantum dots (QD) directly deposited on a combined InAlAs-GaAs (XML) strained buffer layer (SBL) has been investigated. This growth technique realizes high-density QD (5.88 x 10(10) cm(-2)) by changing the thickness of GaAs in InAlAs-GaAs SBL. The dependence of the density and the aspect ratio of QD on the GaAs thickness has been discussed in detail. The photoluminescence (PL) measurements demonstrate an obvious redshift with the increase of GaAs thickness. In addition, the deposition of InAs QDs grown on the combined InAlAs-GaAs SBL has an important effect of the QD properties. The ordered QD array can be observed from the sample deposited by atomic layer epitaxy, of which the PL peak shows an obvious redshift in comparison to the molecular beam epitaxy (MBE) QDs when the GaAs thicknesses are equal. (c) 2004 Elsevier B.V. All rights reserved.

Effect of the variation of temperature on the structural and optical properties of ZnO thin films prepared on Si (111) substrates using PLD

ZnO thin films were prepared on Si (1 11) substrates at various temperatures from 250 to 700 degrees C using pulsed laser deposition (PLD) technique in order to investigate the structural and optical properties of the films. The structural and morphological properties of the films were investigated by XRD and SEM measurements, respectively. The quality of the films was improved with the increase of the temperature. By XRD patterns the FWHMs of the (0 0 2) peaks of the ZnO films became narrower when the temperatures were above 500 degrees C. The FWHMs of the peaks of (0 0 2) of the films were as narrow as about 0. 19 degrees when films were grown at 650 and 700 degrees C. This indicates the superior crystallinity of the films. The optical properties of the films were studied by photoluminescence spectra using a 325 nm He-Cd laser. The two strongest UV peaks were found at 377.9 nm from ZnO films grown at 650 and 700 degrees C. This result is consistent with that of the XRD investigation. Broad bands in visible region from 450 to 550 nm were also observed. Our works suggest that UV emissions have close relations with not only the crystallinity but also the stoichiometry of the ZnO films. (c) 2005 Elsevier Ltd. All rights reserved.

Influence of InAs deposition. thickness on the structural and optical properties of InAs quantum wires

The influence of InAs deposition thickness on the structural and optical properties of InAs/InAlAs quantum wires (QWR) superlattices (SLS) was studied. The transmission electron microscopy (TEM) results show that with increasing the InAs deposited thickness, the size uniformity and spatial ordering of InAs QWR SLS was greatly improved, but threading dislocations initiated from InAs nanowires for the sample with 6 monolayers (MLs) InAs deposition. In addition, the zig-zag features along the extending direction and lateral interlink of InAs nanowires were also observed. The InAs nanowires, especially for the first period, were laterally compact. These structural features may result in easy tunneling and coupling of charge carriers between InAs nanowires and will hamper their device applications to some extent. Some suggestions are put forward for further improving the uniformity of the stacked InAs QWRs, and for suppressing the formation of the threading dislocations in InAs QWR SLS.

Effect of oxidation on the optical and surface properties of AlGaN

The chemical properties of AlxGa1-xN surfaces exposed to air for different time periods are investigated by atomic force microscopy (AFM), photoluminescence (PL) measurement and X-ray photoelectron spectroscopy (XPS). PL and AFM results show that AlxGa1-xN samples exhibit different surface characteristics for different air-exposure times and Al contents. The XPS spectra of the Al 2p and Ga 2p core levels indicate that the peaks shifted slightly, from an Al-N to an Al-O bond and from a Ga-N to a Ga-O bond. All of these results show that the epilayer surface contains a large amount of Ga and Al oxides. (c) 2006 Elsevier B.V. All rights reserved.

Effect of GaAS(100) 2 degrees surface misorientation on the formation and optical properties of MOCVD grown InAs quantum dots

The influence of GaAS(1 0 0)2 degrees substrate misorientation on the formation and optical properties of InAs quantum dots (QDs) has been studied in compare with dots on exact GaAs(1 0 0) substrates. It is shown that, while QDs on exact substrates have only one dominant size, dots on misoriented substrates are formed in lines with a clear bimodal size distribution. Room temperature photoluminescence measurements show that QDs on misoriented substrates have narrower FWHM, longer emission wavelength and much larger PL intensity relative to those of dots on exact substrates. However, our rapid thermal annealing (RTA) experiments indicate that annealing shows a stronger effect on dots with misoriented substrates by greatly accelerating the degradation of material quality. (c) 2005 Elsevier B.V All rights reserved.